Methyl 2-chlorooctanoate
TL;DR: Methyl 2-chlorooctanoate (CAS 14925-42-9) 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.
methyl 2-chlorooctanoate
Also Known As: Methyl 2-chlorooctanoate, Methyl 2-chloro-octanoate, 2-Chlorooctanoic acid, methyl ester, Octanoic acid, 2-chloro-, methyl ester, J3.744.109K
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 3.6 |
| 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 | 126.0 |
Chemical Identifiers
| CAS Number | 14925-42-9 |
|---|---|
| SMILES | CCCCCCC(C(=O)OC)Cl |
| InChIKey | ABYDNTFEQUKFPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chlorooctanoate (CAS 14925-42-9), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: methyl 2-chlorooctanoate.
Chemical Property Profile of Methyl 2-chlorooctanoate
Property Insights of Methyl 2-chlorooctanoate
The XLogP value of 3.6 indicates that Methyl 2-chlorooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chlorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chlorooctanoate 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 Methyl 2-chlorooctanoate?
The CAS number of Methyl 2-chlorooctanoate is 14925-42-9.
What is the molecular formula of Methyl 2-chlorooctanoate?
The molecular formula of Methyl 2-chlorooctanoate is C9H17ClO2.
What is the molecular weight of Methyl 2-chlorooctanoate?
The molecular weight of Methyl 2-chlorooctanoate is 192.09 g/mol.
Where can I buy Methyl 2-chlorooctanoate?
You can request a quote for Methyl 2-chlorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chlorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chlorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.