2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester
TL;DR: 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester (CAS 10485-39-9) is a chemical compound with molecular formula C16H28Cl2O2 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate
Also Known As: methyl-3,7,11-trimethyl-7,11-dichloro-2-dodecenoate, Methyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate, 2-DODECENOIC ACID, 7,11-DICHLORO-3,7,11-TRIMETHYL-, METHYL ESTER
| Molecular Formula | C16H28Cl2O2 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.14664 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 10485-39-9 |
|---|---|
| SMILES | CC(=CC(=O)OC)CCCC(C)(CCCC(C)(C)Cl)Cl |
| InChIKey | AWVGVHUVOTVOAQ-UHFFFAOYSA-N |
Product Overview
2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester (CAS 10485-39-9), with molecular formula C16H28Cl2O2 and molecular weight 322.15 g/mol. IUPAC: methyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate.
Chemical Property Profile of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester
Property Insights of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester
The XLogP value of 5.3 indicates that 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, 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, 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, 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 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester?
The CAS number of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester is 10485-39-9.
What is the molecular formula of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester?
The molecular formula of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester is C16H28Cl2O2.
What is the molecular weight of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester?
The molecular weight of 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester is 322.15 g/mol.
Where can I buy 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester?
You can request a quote for 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.