6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one
TL;DR: 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one (CAS 21762-78-7) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4H-1,4-benzothiazin-3-one
Also Known As: 6-amino-2H-1,4-benzothiazin-3(4H)-one, 6-amino-4H-1,4-benzothiazin-3-one, 6-amino-2H-benzo[b][1,4]thiazin-3(4H)-one, 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one, 6-Amino-4H-benzo[1,4]thiazin-3-one
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 21762-78-7 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1)C=CC(=C2)N |
| InChIKey | OTAZYXUGSKFPHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one (CAS 21762-78-7), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 6-amino-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one
Property Insights of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one. Following Lipinski's Rule of Five, 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one has 2 hydrogen bond donor(s) and 3 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 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one?
The CAS number of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one is 21762-78-7.
What is the molecular formula of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one?
The molecular formula of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one is C8H8N2OS.
What is the molecular weight of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one?
The molecular weight of 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one is 180.04 g/mol.
Where can I buy 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one?
You can request a quote for 6-amino-3,4-dihydro-2H-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 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.