6-Nitro-1,2-benzoxazole-3-carboxamide
TL;DR: 6-Nitro-1,2-benzoxazole-3-carboxamide (CAS 35879-97-1) is a chemical compound with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1,2-benzoxazole-3-carboxamide
Also Known As: 6-nitro-1,2-benzoxazole-3-carboxamide, 6-nitro-1,2-benzisoxazole-3-carboxamide, 2G-383S, 1,2-Benzisoxazole-3-carboxamide, 6-nitro-
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 0.8349 |
| Topological Polar Surface Area | 112.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 560.01215 |
Chemical Identifiers
| CAS Number | 35879-97-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])ON=C2C(=O)N |
Product Overview
6-Nitro-1,2-benzoxazole-3-carboxamide (CAS 35879-97-1), with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol. IUPAC: 6-nitro-1,2-benzoxazole-3-carboxamide.
Chemical Property Profile of 6-Nitro-1,2-benzoxazole-3-carboxamide
Property Insights of 6-Nitro-1,2-benzoxazole-3-carboxamide
The XLogP value of 0.8349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1,2-benzoxazole-3-carboxamide. The TPSA of 112.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1,2-benzoxazole-3-carboxamide. Following Lipinski's Rule of Five, 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 6-Nitro-1,2-benzoxazole-3-carboxamide?
The CAS number of 6-Nitro-1,2-benzoxazole-3-carboxamide is 35879-97-1.
What is the molecular formula of 6-Nitro-1,2-benzoxazole-3-carboxamide?
The molecular formula of 6-Nitro-1,2-benzoxazole-3-carboxamide is C8H5N3O4.
What is the molecular weight of 6-Nitro-1,2-benzoxazole-3-carboxamide?
The molecular weight of 6-Nitro-1,2-benzoxazole-3-carboxamide is 207.03 g/mol.
Where can I buy 6-Nitro-1,2-benzoxazole-3-carboxamide?
You can request a quote for 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 6-Nitro-1,2-benzoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1,2-benzoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.