N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine
TL;DR: N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine (CAS 206444-01-1) is a chemical compound with molecular formula C8H6N4O5 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine
Also Known As: 2-methylamino-5,7-dinitrobenzoxazole, N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine, N-methyl-5,7-dinitrobenzo[d]oxazol-2-amine
| Molecular Formula | C8H6N4O5 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 1.6859 |
| Topological Polar Surface Area | 124.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.03381 |
| Heavy Atoms | 17 |
| Complexity | 619.6482 |
Chemical Identifiers
| CAS Number | 206444-01-1 |
|---|---|
| SMILES | CNC1=NC2=C(O1)C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine (CAS 206444-01-1), with molecular formula C8H6N4O5 and molecular weight 238.03 g/mol. IUPAC: N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine.
Chemical Property Profile of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine
Property Insights of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine
The XLogP value of 1.6859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine. The TPSA of 124.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine. Following Lipinski's Rule of Five, N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine has 1 hydrogen bond donor(s) and 7 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-5,7-dinitro-1,3-benzoxazol-2-amine?
The CAS number of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine is 206444-01-1.
What is the molecular formula of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine?
The molecular formula of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine is C8H6N4O5.
What is the molecular weight of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine?
The molecular weight of N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine is 238.03 g/mol.
Where can I buy N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine?
You can request a quote for N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-5,7-dinitro-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.