1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- (CAS 21038-11-9) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
Also Known As: 7-Nitro-3-propionyl-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-3-PROPIONYL-, 1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one, 1-Propanone, 1-(1,4-dihydro-7-nitro-3H-2,3-benzoxazin-3-yl)-, 3,4-Dihydro-7-nitro-3-(1-oxopropyl)-1H-2,3-benzoxazine
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 21038-11-9 |
|---|---|
| SMILES | CCC(=O)N1CC2=C(CO1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | PMMVHZSWDJDSQU-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- (CAS 21038-11-9), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- 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-7-nitro-3-propionyl-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- is 21038-11-9.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- is C11H12N2O4.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- is 236.08 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- 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-3-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.