Methyl(2-cyanophenyl)acetate
TL;DR: Methyl(2-cyanophenyl)acetate (CAS 20921-96-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-cyanophenyl)acetate
Also Known As: Methyl 2-(2-cyanophenyl)acetate, Methyl (2-cyanophenyl)acetate, methyl 2-cyanophenylacetate, Benzeneacetic acid, 2-cyano-, methyl ester, Methyl2-(2-cyanophenyl)acetate
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.27378 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 352.18753 |
Chemical Identifiers
| CAS Number | 20921-96-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=CC=C1C#N |
Product Overview
Methyl(2-cyanophenyl)acetate (CAS 20921-96-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: methyl 2-(2-cyanophenyl)acetate.
Chemical Property Profile of Methyl(2-cyanophenyl)acetate
Property Insights of Methyl(2-cyanophenyl)acetate
The XLogP value of 1.27378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl(2-cyanophenyl)acetate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl(2-cyanophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl(2-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-cyanophenyl)acetate?
The CAS number of Methyl(2-cyanophenyl)acetate is 20921-96-4.
What is the molecular formula of Methyl(2-cyanophenyl)acetate?
The molecular formula of Methyl(2-cyanophenyl)acetate is C10H9NO2.
What is the molecular weight of Methyl(2-cyanophenyl)acetate?
The molecular weight of Methyl(2-cyanophenyl)acetate is 175.06 g/mol.
Where can I buy Methyl(2-cyanophenyl)acetate?
You can request a quote for Methyl(2-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-cyanophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl(2-cyanophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.