Chloromethyl 6-chlorohexanoate
TL;DR: Chloromethyl 6-chlorohexanoate (CAS 80418-57-1) 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 6-chlorohexanoate
Also Known As: Chloromethyl 6-chlorohexanoate, 6-Chlorohexanoic acid, chloromethyl ester, Hexanoic acid, 6-chloro-, chloromethyl ester, RefChem:333853
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 80418-57-1 |
|---|---|
| SMILES | C(CCC(=O)OCCl)CCCl |
| InChIKey | NFZSDYANLAMKQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl 6-chlorohexanoate (CAS 80418-57-1), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: chloromethyl 6-chlorohexanoate.
Chemical Property Profile of Chloromethyl 6-chlorohexanoate
Property Insights of Chloromethyl 6-chlorohexanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 6-chlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl 6-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 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 Chloromethyl 6-chlorohexanoate?
The CAS number of Chloromethyl 6-chlorohexanoate is 80418-57-1.
What is the molecular formula of Chloromethyl 6-chlorohexanoate?
The molecular formula of Chloromethyl 6-chlorohexanoate is C7H12Cl2O2.
What is the molecular weight of Chloromethyl 6-chlorohexanoate?
The molecular weight of Chloromethyl 6-chlorohexanoate is 198.02 g/mol.
Where can I buy Chloromethyl 6-chlorohexanoate?
You can request a quote for Chloromethyl 6-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 6-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 6-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.