2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-
TL;DR: 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- (CAS 4693-01-0) is a chemical compound with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-nitro-3,1-benzoxazine-2,4-dione
Also Known As: 1-Methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione, 5-Nitro-N-methylisatoic anhydride, 1-methyl-6-nitro-3,1-benzoxazine-2,4-dione, 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-, 1-methyl-6-nitro-1H-benzo[d][1,3]oxazine-2,4-dione
| Molecular Formula | C9H6N2O5 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.02766 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 4693-01-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC1=O |
| InChIKey | CUIMZCXFMNKTEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- (CAS 4693-01-0), with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol. IUPAC: 1-methyl-6-nitro-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-
Property Insights of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-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 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-?
The CAS number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- is 4693-01-0.
What is the molecular formula of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-?
The molecular formula of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- is C9H6N2O5.
What is the molecular weight of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-?
The molecular weight of 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- is 222.03 g/mol.
Where can I buy 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-?
You can request a quote for 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.