3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid
TL;DR: 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid (CAS 68186-55-0) is a chemical compound with molecular formula C29H42O7 and molecular weight 502.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid
Also Known As: Glycerin linoleate isophthalate, Linoleic acid, isophthalic acid, glycerin ester, 1,3-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol (Z,Z)-9,12-octadecadienoate, 1,3-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol (9Z,12Z)-9,12-octadecadienoate
| Molecular Formula | C29H42O7 |
|---|---|
| Molecular Weight | 502.29 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 502.29306 |
| Heavy Atoms | 36 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 68186-55-0 |
|---|---|
| SMILES | CCCCCCC=CC=CCCCCCCCC(=O)OCC(COC(=O)C1=CC=CC(=C1)C(=O)O)O |
| InChIKey | NLNXAASMYDCIPX-UHFFFAOYSA-N |
Product Overview
3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid (CAS 68186-55-0), with molecular formula C29H42O7 and molecular weight 502.29 g/mol. IUPAC: 3-(2-hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid.
Chemical Property Profile of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid
Property Insights of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid
The XLogP value of 7.6 indicates that 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid. Following Lipinski's Rule of Five, 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid?
The CAS number of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid is 68186-55-0.
What is the molecular formula of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid?
The molecular formula of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid is C29H42O7.
What is the molecular weight of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid?
The molecular weight of 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid is 502.29 g/mol.
Where can I buy 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid?
You can request a quote for 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxy-3-octadeca-9,11-dienoyloxypropoxy)carbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.