![Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate structure](/static/products/6818/681838-85-7.webp)
Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate
TL;DR: Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate (CAS 681838-85-7) is a chemical compound with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate
Also Known As: CBKinase1_006255, CBKinase1_018655, BRD-K33221101-001-01-4, A3101/0131275, methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate
| Molecular Formula | C19H16N4O5 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 2.8836 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.11206 |
| Heavy Atoms | 28 |
| Complexity | 1026.8131 |
Chemical Identifiers
| CAS Number | 681838-85-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC=C2C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate (CAS 681838-85-7), with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol. IUPAC: methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate
Property Insights of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate
The XLogP value of 2.8836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[2-[5-(4-nitrophenyl)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-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[2-[5-(4-nitrophenyl)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-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate?
The CAS number of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate is 681838-85-7.
What is the molecular formula of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate?
The molecular formula of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate is C19H16N4O5.
What is the molecular weight of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate?
The molecular weight of Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate is 380.11 g/mol.
Where can I buy Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate?
You can request a quote for Methyl 2-[[2-[5-(4-nitrophenyl)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-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[2-[5-(4-nitrophenyl)imidazol-1-yl]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.