(2-Chloro-4-fluorophenyl)acetic acid methyl ester
TL;DR: (2-Chloro-4-fluorophenyl)acetic acid methyl ester (CAS 853301-97-0) is a chemical compound with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-chloro-4-fluorophenyl)acetate
Also Known As: methyl 2-(2-chloro-4-fluorophenyl)acetate, Methyl 2-chloro-4-fluorophenylacetate, METHYL 2-CHLORO-4-FLUOROPHENYLACETATE 98, methyl (2-chloro-4-fluorophenyl)acetate, Methyl-2-Chloro-4-Fluorophenylacetate
| Molecular Formula | C9H8ClFO2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.01968 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 853301-97-0 |
|---|---|
| SMILES | COC(=O)CC1=C(C=C(C=C1)F)Cl |
| InChIKey | DFTYYBRLWCAUHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chloro-4-fluorophenyl)acetic acid methyl ester (CAS 853301-97-0), with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol. IUPAC: methyl 2-(2-chloro-4-fluorophenyl)acetate.
Chemical Property Profile of (2-Chloro-4-fluorophenyl)acetic acid methyl ester
Property Insights of (2-Chloro-4-fluorophenyl)acetic acid methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-4-fluorophenyl)acetic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Chloro-4-fluorophenyl)acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-4-fluorophenyl)acetic acid methyl ester has 0 hydrogen bond donor(s) and 3 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-Chloro-4-fluorophenyl)acetic acid methyl ester?
The CAS number of (2-Chloro-4-fluorophenyl)acetic acid methyl ester is 853301-97-0.
What is the molecular formula of (2-Chloro-4-fluorophenyl)acetic acid methyl ester?
The molecular formula of (2-Chloro-4-fluorophenyl)acetic acid methyl ester is C9H8ClFO2.
What is the molecular weight of (2-Chloro-4-fluorophenyl)acetic acid methyl ester?
The molecular weight of (2-Chloro-4-fluorophenyl)acetic acid methyl ester is 202.02 g/mol.
Where can I buy (2-Chloro-4-fluorophenyl)acetic acid methyl ester?
You can request a quote for (2-Chloro-4-fluorophenyl)acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-4-fluorophenyl)acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-4-fluorophenyl)acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.