2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-
TL;DR: 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- (CAS 4693-02-1) is a chemical compound with molecular formula C8H4N2O5 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-3,1-benzoxazine-2,4-dione
Also Known As: 5-Nitroisatoic anhydride, 6-Nitroisatoic anhydride, 6-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione, 5-nitro-isatoic anhydride, 6-Nitro IA
| Molecular Formula | C8H4N2O5 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.01202 |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 4693-02-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)N2 |
| InChIKey | WWUBAHSWMPFIQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- (CAS 4693-02-1), with molecular formula C8H4N2O5 and molecular weight 208.01 g/mol. IUPAC: 6-nitro-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-
Property Insights of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- 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 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-?
The CAS number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- is 4693-02-1.
What is the molecular formula of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-?
The molecular formula of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- is C8H4N2O5.
What is the molecular weight of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-?
The molecular weight of 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- is 208.01 g/mol.
Where can I buy 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-?
You can request a quote for 2H-3,1-Benzoxazine-2,4(1H)-dione, 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, 6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.