12,15-Octadecadiynoic acid, methyl ester
TL;DR: 12,15-Octadecadiynoic acid, methyl ester (CAS 57156-95-3) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl octadeca-12,15-diynoate
Also Known As: Methyl 12,15-octadecadiynoate, methyl octadeca-12,15-diynoate, 12,15-Octadecadiynoic acid, methyl ester, 12,15-Octadecadiynoicacidmethylester, Methyl 12,15-octadecadiynoate #
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 57156-95-3 |
|---|---|
| SMILES | CCC#CCC#CCCCCCCCCCCC(=O)OC |
| InChIKey | WAQDJMLHOZJJPM-UHFFFAOYSA-N |
Product Overview
12,15-Octadecadiynoic acid, methyl ester (CAS 57156-95-3), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: methyl octadeca-12,15-diynoate.
Chemical Property Profile of 12,15-Octadecadiynoic acid, methyl ester
Property Insights of 12,15-Octadecadiynoic acid, methyl ester
The XLogP value of 6.4 indicates that 12,15-Octadecadiynoic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 12,15-Octadecadiynoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,15-Octadecadiynoic acid, methyl ester 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 12,15-Octadecadiynoic acid, methyl ester?
The CAS number of 12,15-Octadecadiynoic acid, methyl ester is 57156-95-3.
What is the molecular formula of 12,15-Octadecadiynoic acid, methyl ester?
The molecular formula of 12,15-Octadecadiynoic acid, methyl ester is C19H30O2.
What is the molecular weight of 12,15-Octadecadiynoic acid, methyl ester?
The molecular weight of 12,15-Octadecadiynoic acid, methyl ester is 290.22 g/mol.
Where can I buy 12,15-Octadecadiynoic acid, methyl ester?
You can request a quote for 12,15-Octadecadiynoic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,15-Octadecadiynoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 12,15-Octadecadiynoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.