(2-Chlorocyclohexen-1-yl) hexanoate
TL;DR: (2-Chlorocyclohexen-1-yl) hexanoate (CAS 7469-76-3) is a chemical compound with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorocyclohexen-1-yl) hexanoate
Also Known As: (2-chlorocyclohexen-1-yl) hexanoate, 2-Chlorocyclohex-1-en-1-yl hexanoate, hexanoic acid-(2-chloro-cyclohex-1-enyl ester)
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.10736 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7469-76-3 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C(CCCC1)Cl |
| InChIKey | KBNFUABZBFZCPA-UHFFFAOYSA-N |
Product Overview
(2-Chlorocyclohexen-1-yl) hexanoate (CAS 7469-76-3), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: (2-chlorocyclohexen-1-yl) hexanoate.
Chemical Property Profile of (2-Chlorocyclohexen-1-yl) hexanoate
Property Insights of (2-Chlorocyclohexen-1-yl) hexanoate
The XLogP value of 3.8 indicates that (2-Chlorocyclohexen-1-yl) hexanoate 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-Chlorocyclohexen-1-yl) hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chlorocyclohexen-1-yl) hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Chlorocyclohexen-1-yl) hexanoate?
The CAS number of (2-Chlorocyclohexen-1-yl) hexanoate is 7469-76-3.
What is the molecular formula of (2-Chlorocyclohexen-1-yl) hexanoate?
The molecular formula of (2-Chlorocyclohexen-1-yl) hexanoate is C12H19ClO2.
What is the molecular weight of (2-Chlorocyclohexen-1-yl) hexanoate?
The molecular weight of (2-Chlorocyclohexen-1-yl) hexanoate is 230.11 g/mol.
Where can I buy (2-Chlorocyclohexen-1-yl) hexanoate?
You can request a quote for (2-Chlorocyclohexen-1-yl) hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorocyclohexen-1-yl) hexanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorocyclohexen-1-yl) hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.