6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate
TL;DR: 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate (CAS 16465-97-7) is a chemical compound with molecular formula C12H9NO3S and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate
Also Known As: 4-Acetoxy-6-oxo-2-phenyl-1,3-thiazine, 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate, (6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate, Acetic acid, 6-oxo-2-phenyl-6H-1,3-thiazin-4-yl ester, 6-Oxo-2-phenyl-6H-1,3-thiazin-4-yl acetate
| Molecular Formula | C12H9NO3S |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.03032 |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 16465-97-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=O)SC(=N1)C2=CC=CC=C2 |
| InChIKey | RNIPSUXBPXAJQM-UHFFFAOYSA-N |
Product Overview
6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate (CAS 16465-97-7), with molecular formula C12H9NO3S and molecular weight 247.03 g/mol. IUPAC: (6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate.
Chemical Property Profile of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate
Property Insights of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate. Following Lipinski's Rule of Five, 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate has 0 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 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate?
The CAS number of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate is 16465-97-7.
What is the molecular formula of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate?
The molecular formula of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate is C12H9NO3S.
What is the molecular weight of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate?
The molecular weight of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate is 247.03 g/mol.
Where can I buy 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate?
You can request a quote for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.