Methyl 7-chloroheptanoate
TL;DR: Methyl 7-chloroheptanoate (CAS 26040-62-0) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-chloroheptanoate
Also Known As: methyl 7-chloroheptanoate, Methyl7-chloroheptanoate, Heptanoic acid, 7-chloro-, methyl ester, 7-Chloroheptanoic acid, methyl ester, 7-Chloroheptanoic acid methyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 26040-62-0 |
|---|---|
| SMILES | COC(=O)CCCCCCCl |
| InChIKey | YKSFGXAJDCLJKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 7-chloroheptanoate (CAS 26040-62-0), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: methyl 7-chloroheptanoate.
Chemical Property Profile of Methyl 7-chloroheptanoate
Property Insights of Methyl 7-chloroheptanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-chloroheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-chloroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-chloroheptanoate 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 7-chloroheptanoate?
The CAS number of Methyl 7-chloroheptanoate is 26040-62-0.
What is the molecular formula of Methyl 7-chloroheptanoate?
The molecular formula of Methyl 7-chloroheptanoate is C8H15ClO2.
What is the molecular weight of Methyl 7-chloroheptanoate?
The molecular weight of Methyl 7-chloroheptanoate is 178.08 g/mol.
Where can I buy Methyl 7-chloroheptanoate?
You can request a quote for Methyl 7-chloroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-chloroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-chloroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.