9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-
TL;DR: 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- (CAS 77509-02-5) is a chemical compound with molecular formula C25H36O2 and molecular weight 368.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl octadeca-9,12,15-trienoate
Also Known As: benzyl isocaproate, benzyl octadeca-9,12,15-trienoate, 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-, 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)-
| Molecular Formula | C25H36O2 |
|---|---|
| Molecular Weight | 368.27 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 368.27155 |
| Heavy Atoms | 27 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 77509-02-5 |
|---|---|
| SMILES | CCC=CCC=CCC=CCCCCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | XOMBABWFKFXLII-UHFFFAOYSA-N |
Product Overview
9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- (CAS 77509-02-5), with molecular formula C25H36O2 and molecular weight 368.27 g/mol. IUPAC: benzyl octadeca-9,12,15-trienoate.
Chemical Property Profile of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-
Property Insights of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-
The XLogP value of 7.7 indicates that 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-?
The CAS number of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- is 77509-02-5.
What is the molecular formula of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-?
The molecular formula of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- is C25H36O2.
What is the molecular weight of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-?
The molecular weight of 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- is 368.27 g/mol.
Where can I buy 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-?
You can request a quote for 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)-?
Yes, KEHONG BIO provides custom synthesis services for 9,12,15-Octadecatrienoic acid, phenylmethyl ester, (9Z,12Z,15Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.