Methyl 2-cyano-2-(2-nitrophenyl)acetate
TL;DR: Methyl 2-cyano-2-(2-nitrophenyl)acetate (CAS 113772-13-7) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-(2-nitrophenyl)acetate
Also Known As: methyl 2-cyano-2-(2-nitrophenyl)acetate, Methyl cyano(2-nitrophenyl)acetate, Maybridge1_005053, Benzeneacetic acid, a-cyano-2-nitro-, methyl ester, 2-Nitrophenylcyanoacetic acid, methyl ester
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 1.37498 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 464.132 |
Chemical Identifiers
| CAS Number | 113772-13-7 |
|---|---|
| SMILES | COC(=O)C(C#N)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Methyl 2-cyano-2-(2-nitrophenyl)acetate (CAS 113772-13-7), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: methyl 2-cyano-2-(2-nitrophenyl)acetate.
Chemical Property Profile of Methyl 2-cyano-2-(2-nitrophenyl)acetate
Property Insights of Methyl 2-cyano-2-(2-nitrophenyl)acetate
The XLogP value of 1.37498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-2-(2-nitrophenyl)acetate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-2-(2-nitrophenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-cyano-2-(2-nitrophenyl)acetate has 0 hydrogen bond donor(s) and 5 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-cyano-2-(2-nitrophenyl)acetate?
The CAS number of Methyl 2-cyano-2-(2-nitrophenyl)acetate is 113772-13-7.
What is the molecular formula of Methyl 2-cyano-2-(2-nitrophenyl)acetate?
The molecular formula of Methyl 2-cyano-2-(2-nitrophenyl)acetate is C10H8N2O4.
What is the molecular weight of Methyl 2-cyano-2-(2-nitrophenyl)acetate?
The molecular weight of Methyl 2-cyano-2-(2-nitrophenyl)acetate is 220.05 g/mol.
Where can I buy Methyl 2-cyano-2-(2-nitrophenyl)acetate?
You can request a quote for Methyl 2-cyano-2-(2-nitrophenyl)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-cyano-2-(2-nitrophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-(2-nitrophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.