12,13-Dichloro-9-octadecenoic acid
TL;DR: 12,13-Dichloro-9-octadecenoic acid (CAS 85556-76-9) is a chemical compound with molecular formula C18H32Cl2O2 and molecular weight 350.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-12,13-dichlorooctadec-9-enoic acid
Also Known As: 12,13-Dichloro-9-octadecenoic acid, 9-Octadecenoic acid, 12,13-dichloro-, (E)-12,13-dichlorooctadec-9-enoic acid
| Molecular Formula | C18H32Cl2O2 |
|---|---|
| Molecular Weight | 350.18 g/mol |
| LogP | 6.5431 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 350.17795 |
| Heavy Atoms | 22 |
| Complexity | 292.81174 |
Chemical Identifiers
| CAS Number | 85556-76-9 |
|---|---|
| SMILES | CCCCCC(C(C/C=C/CCCCCCCC(=O)O)Cl)Cl |
Product Overview
12,13-Dichloro-9-octadecenoic acid (CAS 85556-76-9), with molecular formula C18H32Cl2O2 and molecular weight 350.18 g/mol. IUPAC: (E)-12,13-dichlorooctadec-9-enoic acid.
Chemical Property Profile of 12,13-Dichloro-9-octadecenoic acid
Property Insights of 12,13-Dichloro-9-octadecenoic acid
The XLogP value of 6.5431 indicates that 12,13-Dichloro-9-octadecenoic 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, 12,13-Dichloro-9-octadecenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Dichloro-9-octadecenoic 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 12,13-Dichloro-9-octadecenoic acid?
The CAS number of 12,13-Dichloro-9-octadecenoic acid is 85556-76-9.
What is the molecular formula of 12,13-Dichloro-9-octadecenoic acid?
The molecular formula of 12,13-Dichloro-9-octadecenoic acid is C18H32Cl2O2.
What is the molecular weight of 12,13-Dichloro-9-octadecenoic acid?
The molecular weight of 12,13-Dichloro-9-octadecenoic acid is 350.18 g/mol.
Where can I buy 12,13-Dichloro-9-octadecenoic acid?
You can request a quote for 12,13-Dichloro-9-octadecenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Dichloro-9-octadecenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Dichloro-9-octadecenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.