Chloromethyl octanoate
TL;DR: Chloromethyl octanoate (CAS 61413-70-5) 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.
chloromethyl octanoate
Also Known As: Chloromethyl octanoate, Octanoic acid, chloromethyl ester, chloromethyl caprylate, chloromethyl n-octanoate, octanoyloxymethyl chloride
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 61413-70-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCl |
| InChIKey | JRCUJOMLYAQHDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl octanoate (CAS 61413-70-5), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: chloromethyl octanoate.
Chemical Property Profile of Chloromethyl octanoate
Property Insights of Chloromethyl octanoate
The XLogP value of 3.8 indicates that Chloromethyl 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 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 octanoate?
The CAS number of Chloromethyl octanoate is 61413-70-5.
What is the molecular formula of Chloromethyl octanoate?
The molecular formula of Chloromethyl octanoate is C9H17ClO2.
What is the molecular weight of Chloromethyl octanoate?
The molecular weight of Chloromethyl octanoate is 192.09 g/mol.
Where can I buy Chloromethyl octanoate?
You can request a quote for Chloromethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.