1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- (CAS 21038-12-0) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate
Also Known As: 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-(2-CARBAMOYLOXYETHYL)-7-NITRO-, 3-(2-Carbamoyloxyethyl)-7-nitro-3,4-dihydro-1H-2,3-benzoxazine, 1H-2,3-Benzoxazine, 3-(2-carbamoyloxyethyl)-3,4-dihydro-7-nitro-, 2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate, 2-(7-Nitro-1,4-dihydro-3H-2,3-benzoxazin-3-yl)ethyl carbamate
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 21038-12-0 |
|---|---|
| SMILES | C1C2=C(CON1CCOC(=O)N)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | CVGRWCDFXQGLOY-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- (CAS 21038-12-0), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: 2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- has 1 hydrogen bond donor(s) and 6 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-(2-carbamoyloxyethyl)-7-nitro-?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- is 21038-12-0.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- is C11H13N3O5.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- is 267.09 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-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-3-(2-carbamoyloxyethyl)-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.