7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one
TL;DR: 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one (CAS 203387-17-1) is a chemical compound with molecular formula C9H8N2O4S and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one
Also Known As: 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one, 7-methoxy-5-nitro-2H-1,4-benzothiazin-3(4H)-one, 7-methoxy-5-nitro-3,4-dihydro-2H-1,4-benzothiazin-3-one, 5-(Hydroxy(oxido)amino)-7-methoxy-2H-1,4-benzothiazin-3(4H)-one
| Molecular Formula | C9H8N2O4S |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.02048 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 203387-17-1 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)SCC(=O)N2)[N+](=O)[O-] |
| InChIKey | LWHFEGDCKFLZHS-UHFFFAOYSA-N |
Product Overview
7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one (CAS 203387-17-1), with molecular formula C9H8N2O4S and molecular weight 240.02 g/mol. IUPAC: 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one
Property Insights of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one. Following Lipinski's Rule of Five, 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one 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
Frequently Asked Questions
What is the CAS number of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one?
The CAS number of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one is 203387-17-1.
What is the molecular formula of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one?
The molecular formula of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one is C9H8N2O4S.
What is the molecular weight of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one?
The molecular weight of 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one is 240.02 g/mol.
Where can I buy 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one?
You can request a quote for 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.