N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide
TL;DR: N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide (CAS 400079-08-5) is a chemical compound with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide
Also Known As: N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide, 2G-379S, N-methyl-6-nitro-1,2-benzisoxazole-3-carboxamide
| Molecular Formula | C9H7N3O4 |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 1.0956 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.04366 |
| Heavy Atoms | 16 |
| Complexity | 575.1378 |
Chemical Identifiers
| CAS Number | 400079-08-5 |
|---|---|
| SMILES | CNC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-] |
Product Overview
N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide (CAS 400079-08-5), with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol. IUPAC: N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide.
Chemical Property Profile of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide
Property Insights of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide
The XLogP value of 1.0956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-methyl-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-methyl-6-nitro-1,2-benzoxazole-3-carboxamide?
The CAS number of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide is 400079-08-5.
What is the molecular formula of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide?
The molecular formula of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide is C9H7N3O4.
What is the molecular weight of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide?
The molecular weight of N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide is 221.04 g/mol.
Where can I buy N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide?
You can request a quote for N-methyl-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-methyl-6-nitro-1,2-benzoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-6-nitro-1,2-benzoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.