4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-
TL;DR: 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- (CAS 3689-31-4) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-7-nitro-3,1-benzoxazin-4-one
Also Known As: 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-, 2-methyl-7-nitro-4H-benzo[d][1,3]oxazin-4-one, 2-methyl-7-nitro-3,1-benzoxazin-4-one, 2-Methyl-7-nitro-4H-3,1-benzoxazin-4-one, 2-Methyl-7-nitro-benz[d][1,3]oxazin-4-on
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.40462 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 602.5741 |
Chemical Identifiers
| CAS Number | 3689-31-4 |
|---|---|
| SMILES | CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1 |
Product Overview
4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- (CAS 3689-31-4), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 2-methyl-7-nitro-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-
Property Insights of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-
The XLogP value of 1.40462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- has 0 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 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- is 3689-31-4.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- is C9H6N2O4.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- is 206.03 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 2-methyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.