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7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one
TL;DR: 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one (CAS 21762-75-4) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4H-1,4-benzothiazin-3-one
Also Known As: 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one, 7-nitro-4H-1,4-benzothiazin-3-one, 7-nitro-2H-1,4-benzothiazin-3(4H)-one, 2H-1,4-Benzothiazin-3(4H)-one, 7-nitro-, 7-Nitro-4H-benzo[1,4]thiazin-3-one
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 21762-75-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | OOICZQBVVODNDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one (CAS 21762-75-4), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 7-nitro-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one
Property Insights of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one. Following Lipinski's Rule of Five, 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one 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 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one?
The CAS number of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one is 21762-75-4.
What is the molecular formula of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one?
The molecular formula of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one is C8H6N2O3S.
What is the molecular weight of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one?
The molecular weight of 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one is 210.01 g/mol.
Where can I buy 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one?
You can request a quote for 7-Nitro-2H-benzo[b][1,4]thiazin-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 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.