1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- (CAS 21977-26-4) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethanone
Also Known As: 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-ACETYL-6-NITRO-, 3-Acetyl-6-nitro-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-Benzoxazine, 3-acetyl-3,4-dihydro-6-nitro-, 3-Acetyl-3,4-dihydro-6-nitro-1H-2,3-benzoxazine, 1-(6-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethanone
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 21977-26-4 |
|---|---|
| SMILES | CC(=O)N1CC2=C(CO1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | FFRVMAQKEPCGOM-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- (CAS 21977-26-4), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: 1-(6-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethanone.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- has 0 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-3-acetyl-6-nitro-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- is 21977-26-4.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- is C10H10N2O4.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- is 222.06 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-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-3-acetyl-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.