4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one
TL;DR: 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one (CAS 353262-02-9) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]-1,4-benzothiazin-3-one
Also Known As: 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one, 4-[(4-nitrophenyl)methyl]-1,4-benzothiazin-3-one, AI-204/31722010
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.2337 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 700.3198 |
Chemical Identifiers
| CAS Number | 353262-02-9 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one (CAS 353262-02-9), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]-1,4-benzothiazin-3-one.
Chemical Property Profile of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one
Property Insights of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one
The XLogP value of 3.2337 indicates that 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one. Following Lipinski's Rule of Five, 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-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 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one?
The CAS number of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one is 353262-02-9.
What is the molecular formula of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one is C15H12N2O3S.
What is the molecular weight of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight of 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one is 300.06 g/mol.
Where can I buy 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one?
You can request a quote for 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-nitrobenzyl}-2H-1,4-benzothiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.