Chloromethyl 3-chloro-octanoate
TL;DR: Chloromethyl 3-chloro-octanoate (CAS 80418-65-1) is a chemical compound with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 3-chlorooctanoate
Also Known As: Chloromethyl 3-chloro-octanoate, chloromethyl 3-chlorooctanoate, 3-Chlorooctanoic acid, chloromethyl ester, Octanoic acid, 3-chloro-, chloromethyl ester, RefChem:333825
| Molecular Formula | C9H16Cl2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.05273 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 80418-65-1 |
|---|---|
| SMILES | CCCCCC(CC(=O)OCCl)Cl |
| InChIKey | QVLVXAKSGCMENB-UHFFFAOYSA-N |
Product Overview
Chloromethyl 3-chloro-octanoate (CAS 80418-65-1), with molecular formula C9H16Cl2O2 and molecular weight 226.05 g/mol. IUPAC: chloromethyl 3-chlorooctanoate.
Chemical Property Profile of Chloromethyl 3-chloro-octanoate
Property Insights of Chloromethyl 3-chloro-octanoate
The XLogP value of 3.7 indicates that Chloromethyl 3-chloro-octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl 3-chloro-octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 3-chloro-octanoate 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-chloro-octanoate?
The CAS number of Chloromethyl 3-chloro-octanoate is 80418-65-1.
What is the molecular formula of Chloromethyl 3-chloro-octanoate?
The molecular formula of Chloromethyl 3-chloro-octanoate is C9H16Cl2O2.
What is the molecular weight of Chloromethyl 3-chloro-octanoate?
The molecular weight of Chloromethyl 3-chloro-octanoate is 226.05 g/mol.
Where can I buy Chloromethyl 3-chloro-octanoate?
You can request a quote for Chloromethyl 3-chloro-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 3-chloro-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 3-chloro-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.