Propionic acid, 6-chloro-o-tolyl ester
TL;DR: Propionic acid, 6-chloro-o-tolyl ester (CAS 63916-12-1) 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-chloro-6-methylphenyl) propanoate
Also Known As: Phenol, propanoate, 6-Chloro-o-tolyl propionate, Propionic acid, 6-chloro-o-tolyl ester, (2-chloro-6-methylphenyl) propanoate, Phenol, 2-chloro-6-methyl-, propanoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | CCC(=O)OC1=C(C=CC=C1Cl)C |
| InChIKey | KWNCDIMDYKXECW-UHFFFAOYSA-N |
Chemical Property Profile of Propionic acid, 6-chloro-o-tolyl ester
Property Insights of Propionic acid, 6-chloro-o-tolyl ester
The XLogP value of 3.2 indicates that Propionic acid, 6-chloro-o-tolyl 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, Propionic acid, 6-chloro-o-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 6-chloro-o-tolyl 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 Propionic acid, 6-chloro-o-tolyl ester?
The CAS number of Propionic acid, 6-chloro-o-tolyl ester is 63916-12-1.
What is the molecular formula of Propionic acid, 6-chloro-o-tolyl ester?
The molecular formula of Propionic acid, 6-chloro-o-tolyl ester is C10H11ClO2.
What is the molecular weight of Propionic acid, 6-chloro-o-tolyl ester?
The molecular weight of Propionic acid, 6-chloro-o-tolyl ester is 198.04475 g/mol.
Where can I buy Propionic acid, 6-chloro-o-tolyl ester?
You can request a quote for Propionic acid, 6-chloro-o-tolyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propionic acid, 6-chloro-o-tolyl ester?
Yes, CoreyChem provides custom synthesis services for Propionic acid, 6-chloro-o-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.