6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate
TL;DR: 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate (CAS 73672-79-4) is a chemical compound with molecular formula C17H10N2O5S and molecular weight 354.03 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) 4-nitrobenzoate
Also Known As: 2-Phenyl-4-(p-nitrobenzoyl)-6-oxo-1,3-thiazine, 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate, Benzoic acid, p-nitro-, 6-oxo-2-phenyl-6H-1,3-thiazin-4-yl ester, (6-oxo-2-phenyl-1,3-thiazin-4-yl) 4-nitrobenzoate, 6-Oxo-2-phenyl-6H-1,3-thiazin-4-yl 4-nitrobenzoate
| Molecular Formula | C17H10N2O5S |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 3.2977 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.03104 |
| Heavy Atoms | 25 |
| Complexity | 983.925 |
Chemical Identifiers
| CAS Number | 73672-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC(=O)S2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate (CAS 73672-79-4), with molecular formula C17H10N2O5S and molecular weight 354.03 g/mol. IUPAC: (6-oxo-2-phenyl-1,3-thiazin-4-yl) 4-nitrobenzoate.
Chemical Property Profile of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate
Property Insights of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate
The XLogP value of 3.2977 indicates that 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate. Following Lipinski's Rule of Five, 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-, p-nitrobenzoate?
The CAS number of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate is 73672-79-4.
What is the molecular formula of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate?
The molecular formula of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate is C17H10N2O5S.
What is the molecular weight of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate?
The molecular weight of 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate is 354.03 g/mol.
Where can I buy 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate?
You can request a quote for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate 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-, p-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6H-1,3-Thiazin-6-one, 4-hydroxy-2-phenyl-, p-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.