(2-Chlorophenyl)methyl butanoate
TL;DR: (2-Chlorophenyl)methyl butanoate (CAS 69181-16-4) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl butanoate
Also Known As: 2-chlorobenzyl butanoate, (2-chlorophenyl)methyl butanoate, Butanoic acid,(2-chlorophenyl)methyl ester
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 69181-16-4 |
|---|---|
| SMILES | CCCC(=O)OCC1=CC=CC=C1Cl |
| InChIKey | WDLQAPYRESOYBQ-UHFFFAOYSA-N |
Product Overview
(2-Chlorophenyl)methyl butanoate (CAS 69181-16-4), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (2-chlorophenyl)methyl butanoate.
Chemical Property Profile of (2-Chlorophenyl)methyl butanoate
Property Insights of (2-Chlorophenyl)methyl butanoate
The XLogP value of 3.1 indicates that (2-Chlorophenyl)methyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Chlorophenyl)methyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chlorophenyl)methyl 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 (2-Chlorophenyl)methyl butanoate?
The CAS number of (2-Chlorophenyl)methyl butanoate is 69181-16-4.
What is the molecular formula of (2-Chlorophenyl)methyl butanoate?
The molecular formula of (2-Chlorophenyl)methyl butanoate is C11H13ClO2.
What is the molecular weight of (2-Chlorophenyl)methyl butanoate?
The molecular weight of (2-Chlorophenyl)methyl butanoate is 212.06 g/mol.
Where can I buy (2-Chlorophenyl)methyl butanoate?
You can request a quote for (2-Chlorophenyl)methyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorophenyl)methyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorophenyl)methyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.