12,14-Heptacosadiynoic acid
TL;DR: 12,14-Heptacosadiynoic acid (CAS 106510-41-2) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptacosa-12,14-diynoic acid
Also Known As: 12,14-Heptacosadiynoic acid, heptacosa-12,14-diynoic acid, 4,4-diacetylbibenzyl, 12,14-Heptacosadiynoicacid, ethyl 3-(chlorosulfonyl)propanoate
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 8.2898 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 20 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 472.23694 |
Chemical Identifiers
| CAS Number | 106510-41-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)O |
Product Overview
12,14-Heptacosadiynoic acid (CAS 106510-41-2), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: heptacosa-12,14-diynoic acid.
Chemical Property Profile of 12,14-Heptacosadiynoic acid
Property Insights of 12,14-Heptacosadiynoic acid
The XLogP value of 8.2898 indicates that 12,14-Heptacosadiynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12,14-Heptacosadiynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,14-Heptacosadiynoic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12,14-Heptacosadiynoic acid?
The CAS number of 12,14-Heptacosadiynoic acid is 106510-41-2.
What is the molecular formula of 12,14-Heptacosadiynoic acid?
The molecular formula of 12,14-Heptacosadiynoic acid is C27H46O2.
What is the molecular weight of 12,14-Heptacosadiynoic acid?
The molecular weight of 12,14-Heptacosadiynoic acid is 402.35 g/mol.
Where can I buy 12,14-Heptacosadiynoic acid?
You can request a quote for 12,14-Heptacosadiynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,14-Heptacosadiynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12,14-Heptacosadiynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.