4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-
TL;DR: 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- (CAS 501001-63-4) is a chemical compound with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-4H-1,4-benzothiazine
Also Known As: 3-Hexanol,5-methyl-5-phenyl, 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-, 3-(4-nitrophenyl)-4H-1,4-benzothiazine, RefChem:297111
| Molecular Formula | C14H10N2O2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0463 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 501001-63-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | MHDOXUQVHKRIMC-UHFFFAOYSA-N |
Product Overview
4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- (CAS 501001-63-4), with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol. IUPAC: 3-(4-nitrophenyl)-4H-1,4-benzothiazine.
Chemical Property Profile of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-
Property Insights of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-
The XLogP value of 3.7 indicates that 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- 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 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-?
The CAS number of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- is 501001-63-4.
What is the molecular formula of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-?
The molecular formula of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- is C14H10N2O2S.
What is the molecular weight of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-?
The molecular weight of 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- is 270.05 g/mol.
Where can I buy 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-?
You can request a quote for 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzothiazine, 3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.