Butanoic acid, 2-chlorophenyl ester
TL;DR: Butanoic acid, 2-chlorophenyl ester (CAS 63867-11-8) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl) butanoate
Also Known As: o-Chlorophenyl butyrate, (2-chlorophenyl) butanoate, Butanoic acid, 2-chlorophenyl ester, BUTYRIC ACID, o-CHLOROPHENYL ESTER, 2-chlorophenol n-butyrate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | CCCC(=O)OC1=CC=CC=C1Cl |
| InChIKey | RPQLJCLHDBGBSE-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 2-chlorophenyl ester
Property Insights of Butanoic acid, 2-chlorophenyl ester
The XLogP value of 3.0 indicates that Butanoic acid, 2-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-chlorophenyl ester 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
What is the CAS number of Butanoic acid, 2-chlorophenyl ester?
The CAS number of Butanoic acid, 2-chlorophenyl ester is 63867-11-8.
What is the molecular formula of Butanoic acid, 2-chlorophenyl ester?
The molecular formula of Butanoic acid, 2-chlorophenyl ester is C10H11ClO2.
What is the molecular weight of Butanoic acid, 2-chlorophenyl ester?
The molecular weight of Butanoic acid, 2-chlorophenyl ester is 198.04475 g/mol.
Where can I buy Butanoic acid, 2-chlorophenyl ester?
You can request a quote for Butanoic acid, 2-chlorophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2-chlorophenyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.