Methyl 2-(3-chloro-4-cyanophenyl)acetate
TL;DR: Methyl 2-(3-chloro-4-cyanophenyl)acetate (CAS 41339-67-7) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-4-cyanophenyl)acetate
Also Known As: methyl 2-(3-chloro-4-cyanophenyl)acetate, Methyl 3-chloro-4-cyanophenylacetate, METHYL 4-CYANO-3-CHLOROPHENYLACETATE, Benzeneacetic acid, 3-chloro-4-cyano-, methyl ester, methyl2-(3-chloro-4-cyanophenyl)acetate
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 1.92718 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 395.59872 |
Chemical Identifiers
| CAS Number | 41339-67-7 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C=C1)C#N)Cl |
Product Overview
Methyl 2-(3-chloro-4-cyanophenyl)acetate (CAS 41339-67-7), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: methyl 2-(3-chloro-4-cyanophenyl)acetate.
Chemical Property Profile of Methyl 2-(3-chloro-4-cyanophenyl)acetate
Property Insights of Methyl 2-(3-chloro-4-cyanophenyl)acetate
The XLogP value of 1.92718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-chloro-4-cyanophenyl)acetate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-(3-chloro-4-cyanophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-chloro-4-cyanophenyl)acetate 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 Methyl 2-(3-chloro-4-cyanophenyl)acetate?
The CAS number of Methyl 2-(3-chloro-4-cyanophenyl)acetate is 41339-67-7.
What is the molecular formula of Methyl 2-(3-chloro-4-cyanophenyl)acetate?
The molecular formula of Methyl 2-(3-chloro-4-cyanophenyl)acetate is C10H8ClNO2.
What is the molecular weight of Methyl 2-(3-chloro-4-cyanophenyl)acetate?
The molecular weight of Methyl 2-(3-chloro-4-cyanophenyl)acetate is 209.02 g/mol.
Where can I buy Methyl 2-(3-chloro-4-cyanophenyl)acetate?
You can request a quote for Methyl 2-(3-chloro-4-cyanophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chloro-4-cyanophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chloro-4-cyanophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.