Chemical identity

3-Hydroxypropane-1,2-diyl bis(4-phenylbutanoate)

CAS 1443417-10-4 · C23H28O5

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02595
PubChem CID89652742
Name3-Hydroxypropane-1,2-diyl bis(4-phenylbutanoate)
CAS RN1443417-10-4
Molecular formulaC23H28O5
Molecular weight384.47 g/mol
IUPAC name3-Hydroxypropane-1,2-diyl bis(4-phenylbutanoate)
InChIKeyXYSVQHXLWJLILJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 89652742
Two-dimensional chemical structure of 3-Hydroxypropane-1,2-diyl bis(4-phenylbutanoate), CAS 1443417-10-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C=C1)CCCC(=O)OCC(CO)OC(=O)CCCC2=CC=CC=C2
InChINot listed
Formula from structureC23H28O5
Molecular weight from structure384.47 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1443417-10-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1443417-10-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Phenylbutyrate

View API and impurity family

Other names

  • 3-Hydroxypropane-1,2-diyl bis(4-phenylbutanoate) / Glycerol Impurity 11 / Phenyl butyrate Related Compound 5 (GLC 1,2 diester)
  • Phenyl Butyrate Related Compound 5 (GLC 1,2 diester)
  • Glycerol Impurity 11
  • Phenylbutyrate Impurity 8
  • 1443417-10-4
  • J5C3WQF9FS
  • SCHEMBL15061844
  • Glycerol Phenylbutyrate Impurity 13
  • 3-hydroxypropane-1,2-diyl bis(4-phenylbutanoate)
  • 1,1'-[1-(Hydroxymethyl)-1,2-ethanediyl] dibenzenebutanoate
  • Benzenebutanoic acid, 1,1'-[1-(hydroxymethyl)-1,2-ethanediyl] ester

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources