2-cyano-N-(2-methyl-4-nitrophenyl)acetamide
TL;DR: 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide (CAS 546071-63-0) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(2-methyl-4-nitrophenyl)acetamide
Also Known As: 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide, 2-cyano-N-(2-methyl-4-nitro-phenyl)acetamide
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.7554 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 476.68787 |
Chemical Identifiers
| CAS Number | 546071-63-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC#N |
Product Overview
2-cyano-N-(2-methyl-4-nitrophenyl)acetamide (CAS 546071-63-0), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide
Property Insights of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide
The XLogP value of 1.7554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-cyano-N-(2-methyl-4-nitrophenyl)acetamide?
The CAS number of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide is 546071-63-0.
What is the molecular formula of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide?
The molecular formula of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide is C10H9N3O3.
What is the molecular weight of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide?
The molecular weight of 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide is 219.06 g/mol.
Where can I buy 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide?
You can request a quote for 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(2-methyl-4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.