N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide
TL;DR: N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide (CAS 35876-21-2) is a chemical compound with molecular formula C14H8ClN3O4 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide
Also Known As: 2G-312S, N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide, N-(4-chlorophenyl)-6-nitro-1,2-benzisoxazole-3-carboxamide, N-(4-Chlorophenyl)-6-nitrobenzo[d]isoxazole-3-carboxamide
| Molecular Formula | C14H8ClN3O4 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 3.6417 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.02032 |
| Heavy Atoms | 22 |
| Complexity | 873.43024 |
Chemical Identifiers
| CAS Number | 35876-21-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=NOC3=C2C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide (CAS 35876-21-2), with molecular formula C14H8ClN3O4 and molecular weight 317.02 g/mol. IUPAC: N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide.
Chemical Property Profile of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide
Property Insights of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide
The XLogP value of 3.6417 indicates that N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide 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-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide?
The CAS number of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide is 35876-21-2.
What is the molecular formula of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide?
The molecular formula of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide is C14H8ClN3O4.
What is the molecular weight of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide?
The molecular weight of N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide is 317.02 g/mol.
Where can I buy N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide?
You can request a quote for N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-6-nitro-1,2-benzoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.