Methyl 2-chloropentanoate
TL;DR: Methyl 2-chloropentanoate (CAS 26040-68-6) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloropentanoate
Also Known As: Methyl 2-chloropentanoate, methyl a-chlorovalerate, methyl rac-2-chloropentanoate, 2-chloropentanoic acid, methyl ester, Pentanoic acid, 2-chloro-, methyl ester
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 26040-68-6 |
|---|---|
| SMILES | CCCC(C(=O)OC)Cl |
| InChIKey | DFJFGBSFTBCENV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chloropentanoate (CAS 26040-68-6), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: methyl 2-chloropentanoate.
Chemical Property Profile of Methyl 2-chloropentanoate
Property Insights of Methyl 2-chloropentanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloropentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloropentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloropentanoate 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-chloropentanoate?
The CAS number of Methyl 2-chloropentanoate is 26040-68-6.
What is the molecular formula of Methyl 2-chloropentanoate?
The molecular formula of Methyl 2-chloropentanoate is C6H11ClO2.
What is the molecular weight of Methyl 2-chloropentanoate?
The molecular weight of Methyl 2-chloropentanoate is 150.04 g/mol.
Where can I buy Methyl 2-chloropentanoate?
You can request a quote for Methyl 2-chloropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.