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N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide
TL;DR: N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide (CAS 309950-83-2) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide
Also Known As: N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide, N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide, J2.371.086B, N-(3-imidazolylpropyl)(4-nitrophenyl)carboxamide, 4-[N-(3-imidazol-1-ylpropyl)carbamoyl]nitrobenzene
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 1.6114 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 578.1736 |
Chemical Identifiers
| CAS Number | 309950-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] |
Product Overview
N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide (CAS 309950-83-2), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide.
Chemical Property Profile of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide
Property Insights of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide
The XLogP value of 1.6114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide 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 N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide?
The CAS number of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide is 309950-83-2.
What is the molecular formula of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide?
The molecular formula of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide is C13H14N4O3.
What is the molecular weight of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide?
The molecular weight of N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide is 274.11 g/mol.
Where can I buy N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide?
You can request a quote for N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1H-imidazol-1-yl)propyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.