Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate
TL;DR: Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate (CAS 25001-79-0) is a chemical compound with molecular formula C17H31ClO2 and molecular weight 302.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-11-chloro-3,7,11-trimethyldodec-2-enoate
Also Known As: Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate, 2-Dodecenoic acid, 11-chloro-3,7,11-trimethyl-, ethyl ester, ethyl (E)-11-chloro-3,7,11-trimethyldodec-2-enoate
| Molecular Formula | C17H31ClO2 |
|---|---|
| Molecular Weight | 302.20 g/mol |
| LogP | 5.4899 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.20126 |
| Heavy Atoms | 20 |
| Complexity | 302.60208 |
Chemical Identifiers
| CAS Number | 25001-79-0 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/CCCC(C)CCCC(C)(C)Cl |
Product Overview
Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate (CAS 25001-79-0), with molecular formula C17H31ClO2 and molecular weight 302.20 g/mol. IUPAC: ethyl (E)-11-chloro-3,7,11-trimethyldodec-2-enoate.
Chemical Property Profile of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate
Property Insights of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate
The XLogP value of 5.4899 indicates that Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate 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 Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate?
The CAS number of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate is 25001-79-0.
What is the molecular formula of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate?
The molecular formula of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate is C17H31ClO2.
What is the molecular weight of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate?
The molecular weight of Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate is 302.20 g/mol.
Where can I buy Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate?
You can request a quote for Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 11-chloro-3,7,11-trimethyl-2-dodecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.