Chloromethyl butanoate
TL;DR: Chloromethyl butanoate (CAS 33657-49-7) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl butanoate
Also Known As: Chloromethyl butyrate, chloromethyl butanoate, chloromethylbutyrate, Butanoic acid, chloromethyl ester, chloromethyl n-butyrate
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.526 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 64.82892 |
Chemical Identifiers
| CAS Number | 33657-49-7 |
|---|---|
| SMILES | CCCC(=O)OCCl |
Product Overview
Chloromethyl butanoate (CAS 33657-49-7), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: chloromethyl butanoate.
Chemical Property Profile of Chloromethyl butanoate
Property Insights of Chloromethyl butanoate
The XLogP value of 1.526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl butanoate 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 butanoate?
The CAS number of Chloromethyl butanoate is 33657-49-7.
What is the molecular formula of Chloromethyl butanoate?
The molecular formula of Chloromethyl butanoate is C5H9ClO2.
What is the molecular weight of Chloromethyl butanoate?
The molecular weight of Chloromethyl butanoate is 136.03 g/mol.
Where can I buy Chloromethyl butanoate?
You can request a quote for Chloromethyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.