N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide
TL;DR: N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide (CAS 891025-65-3) is a chemical compound with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide
Also Known As: N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide, N-benzo[d]isoxazol-3-yl(4-nitrophenyl)carboxamide
| Molecular Formula | C14H9N3O4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 2.9883 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0593 |
| Heavy Atoms | 21 |
| Complexity | 823.6112 |
Chemical Identifiers
| CAS Number | 891025-65-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NO2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide (CAS 891025-65-3), with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol. IUPAC: N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide
Property Insights of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide
The XLogP value of 2.9883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide has 1 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 N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide?
The CAS number of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide is 891025-65-3.
What is the molecular formula of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide?
The molecular formula of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide is C14H9N3O4.
What is the molecular weight of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide?
The molecular weight of N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide is 283.06 g/mol.
Where can I buy N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide?
You can request a quote for N-(1,2-benzoxazol-3-yl)-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-(1,2-benzoxazol-3-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2-benzoxazol-3-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.