1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- (CAS 21964-98-7) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3,4-dihydro-1H-2,3-benzoxazine
Also Known As: 7-Nitro-1H-3,4-dihydrobenzoxazine, 7-nitro-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-, 3,4-Dihydro-7-nitro-1H-2,3-benzoxazine, 7-nitro-3,4-dihydro-1H-benzo[d][1,2]oxazine
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 21964-98-7 |
|---|---|
| SMILES | C1C2=C(CON1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZOZABKCYUYXXRS-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- (CAS 21964-98-7), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 7-nitro-3,4-dihydro-1H-2,3-benzoxazine.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- has 1 hydrogen bond donor(s) and 4 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 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- is 21964-98-7.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- is C8H8N2O3.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- is 180.05 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.