![methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate structure](/static/products/3316/331660-53-8.webp)
methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate
TL;DR: methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate (CAS 331660-53-8) is a chemical compound with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_000475, CBKinase1_012875, BAS 00384772, methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate, methyl 2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate
| Molecular Formula | C13H12N4O5 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 1.2166 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.08078 |
| Heavy Atoms | 22 |
| Complexity | 724.72546 |
Chemical Identifiers
| CAS Number | 331660-53-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(N=C2)[N+](=O)[O-] |
Product Overview
methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate (CAS 331660-53-8), with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol. IUPAC: methyl 2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate
Property Insights of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate
The XLogP value of 1.2166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate?
The CAS number of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate is 331660-53-8.
What is the molecular formula of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate?
The molecular formula of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate is C13H12N4O5.
What is the molecular weight of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate?
The molecular weight of methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate is 304.08 g/mol.
Where can I buy methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate?
You can request a quote for methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.