(4-Chloro-2-methylphenyl) propanoate
TL;DR: (4-Chloro-2-methylphenyl) propanoate (CAS 7463-55-0) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-methylphenyl) propanoate
Also Known As: (4-chloro-2-methylphenyl) propanoate, 4-Chloro-o-tolyl propionate, 4-chloro-2-methylphenyl propanoate, NIOSH/UE8935000, (4-chloro-2-methylphenyl)propanoate
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 7463-55-0 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)Cl)C |
| InChIKey | SRLZNGDIPYTDOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chloro-2-methylphenyl) propanoate (CAS 7463-55-0), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (4-chloro-2-methylphenyl) propanoate.
Chemical Property Profile of (4-Chloro-2-methylphenyl) propanoate
Property Insights of (4-Chloro-2-methylphenyl) propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-2-methylphenyl) propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chloro-2-methylphenyl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-2-methylphenyl) propanoate 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 (4-Chloro-2-methylphenyl) propanoate?
The CAS number of (4-Chloro-2-methylphenyl) propanoate is 7463-55-0.
What is the molecular formula of (4-Chloro-2-methylphenyl) propanoate?
The molecular formula of (4-Chloro-2-methylphenyl) propanoate is C10H11ClO2.
What is the molecular weight of (4-Chloro-2-methylphenyl) propanoate?
The molecular weight of (4-Chloro-2-methylphenyl) propanoate is 198.04 g/mol.
Where can I buy (4-Chloro-2-methylphenyl) propanoate?
You can request a quote for (4-Chloro-2-methylphenyl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-2-methylphenyl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-2-methylphenyl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.