3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
TL;DR: 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one (CAS 288155-03-3) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(4-nitrophenyl)-2H-1,3-benzothiazin-4-one
Also Known As: ChemDiv1_023033, 3-benzyl-2-(4-nitrophenyl)-2H-1,3-benzothiazin-4-one, 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one, 3-Benzyl-2-(4-nitro-phenyl)-2,3-dihydro-benzo[e][1,3]thiazin-4-one, A2475/0105137
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 288155-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(SC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | LIROUGBYAOFTDQ-UHFFFAOYSA-N |
Product Overview
3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one (CAS 288155-03-3), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: 3-benzyl-2-(4-nitrophenyl)-2H-1,3-benzothiazin-4-one.
Chemical Property Profile of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
Property Insights of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
The XLogP value of 4.6 indicates that 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one. Following Lipinski's Rule of Five, 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one 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 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The CAS number of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one is 288155-03-3.
What is the molecular formula of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The molecular formula of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one is C21H16N2O3S.
What is the molecular weight of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The molecular weight of 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one is 376.09 g/mol.
Where can I buy 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one?
You can request a quote for 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.