Chloromethyl pentanoate
TL;DR: Chloromethyl pentanoate (CAS 77877-94-2) 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.
chloromethyl pentanoate
Also Known As: Chloromethyl pentanoate, Pentanoic acid, chloromethyl ester, Chloromethylpentanoate, 3-valeryloxymethyl chloride, Valeric acid chloromethyl ester
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 77877-94-2 |
|---|---|
| SMILES | CCCCC(=O)OCCl |
| InChIKey | ZYDSTVMBNBPPLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl pentanoate (CAS 77877-94-2), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: chloromethyl pentanoate.
Chemical Property Profile of Chloromethyl pentanoate
Property Insights of Chloromethyl pentanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl pentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl pentanoate 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 pentanoate?
The CAS number of Chloromethyl pentanoate is 77877-94-2.
What is the molecular formula of Chloromethyl pentanoate?
The molecular formula of Chloromethyl pentanoate is C6H11ClO2.
What is the molecular weight of Chloromethyl pentanoate?
The molecular weight of Chloromethyl pentanoate is 150.04 g/mol.
Where can I buy Chloromethyl pentanoate?
You can request a quote for Chloromethyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.