Chloromethyl 3-chlorohexanoate
TL;DR: Chloromethyl 3-chlorohexanoate (CAS 80418-54-8) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 3-chlorohexanoate
Also Known As: Chloromethyl 3-chlorohexanoate, 3-Chlorohexanoic acid, chloromethyl ester, Hexanoic acid, 3-chloro-, chloromethyl ester, RefChem:333829
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 80418-54-8 |
|---|---|
| SMILES | CCCC(CC(=O)OCCl)Cl |
| InChIKey | FWVZTAJOBMVDDT-UHFFFAOYSA-N |
Product Overview
Chloromethyl 3-chlorohexanoate (CAS 80418-54-8), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: chloromethyl 3-chlorohexanoate.
Chemical Property Profile of Chloromethyl 3-chlorohexanoate
Property Insights of Chloromethyl 3-chlorohexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 3-chlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl 3-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 3-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 Chloromethyl 3-chlorohexanoate?
The CAS number of Chloromethyl 3-chlorohexanoate is 80418-54-8.
What is the molecular formula of Chloromethyl 3-chlorohexanoate?
The molecular formula of Chloromethyl 3-chlorohexanoate is C7H12Cl2O2.
What is the molecular weight of Chloromethyl 3-chlorohexanoate?
The molecular weight of Chloromethyl 3-chlorohexanoate is 198.02 g/mol.
Where can I buy Chloromethyl 3-chlorohexanoate?
You can request a quote for Chloromethyl 3-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 3-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 3-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.