Isopropyl 6-chlorohexanoate
TL;DR: Isopropyl 6-chlorohexanoate (CAS 71195-77-2) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-chlorohexanoate
Also Known As: propan-2-yl 6-chlorohexanoate, isopropyl 6-chlorohexanoate, iso-Propyl 6-Chlorohexanoate, Hexanoic acid,6-chloro-, 1-methylethyl ester, 654-456-6
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 71195-77-2 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCCl |
| InChIKey | MBBMZGJDDXCJMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 6-chlorohexanoate (CAS 71195-77-2), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: propan-2-yl 6-chlorohexanoate.
Chemical Property Profile of Isopropyl 6-chlorohexanoate
Property Insights of Isopropyl 6-chlorohexanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 6-chlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 6-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 6-chlorohexanoate 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 Isopropyl 6-chlorohexanoate?
The CAS number of Isopropyl 6-chlorohexanoate is 71195-77-2.
What is the molecular formula of Isopropyl 6-chlorohexanoate?
The molecular formula of Isopropyl 6-chlorohexanoate is C9H17ClO2.
What is the molecular weight of Isopropyl 6-chlorohexanoate?
The molecular weight of Isopropyl 6-chlorohexanoate is 192.09 g/mol.
Where can I buy Isopropyl 6-chlorohexanoate?
You can request a quote for Isopropyl 6-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 6-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 6-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.