1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride (CAS 21038-13-1) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride
Also Known As: 7-Nitro-3-(2-(4-pyridyl)ethyl)-3,4-dihydro-1H-2,3-benzoxazine hydrochloride, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-3-(2-(4-PYRIDYL)ETHYL)-, HYDROCHLORIDE, 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride
Technical Specifications
| Molecular Formula | C15H16ClN3O3 |
| Molecular Weight | 321.088 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.088 Da |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
| SMILES | C1C2=C(CON1CCC3=CC=[NH+]C=C3)C=C(C=C2)[N+](=O)[O-].[Cl-] |
| InChIKey | SSBPLEKEDHPOCG-UHFFFAOYSA-N |
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
The XLogP value of -1.1 indicates that 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride 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
What is the CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride is 21038-13-1.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride is C15H16ClN3O3.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride is 321.088 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.