Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate
TL;DR: Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate (CAS 15001-08-8) is a chemical compound with molecular formula C19H17NO4S and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate
Also Known As: 3-Pyridinecarboxylic acid,6-amino-5-chloro-2-methoxy, methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate, methyl(1,1-dioxido-3,5-diphenyl-4h-1,4-thiazin-4-yl)acetate, methyl 2-(1,1-dioxido-3,5-diphenyl-4H-1,4-thiazin-4-yl)acetate, Methyl (1,1-dioxo-3,5-diphenyl-1lambda~6~,4-thiazin-4(1H)-yl)acetate
| Molecular Formula | C19H17NO4S |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.08783 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 15001-08-8 |
|---|---|
| SMILES | COC(=O)CN1C(=CS(=O)(=O)C=C1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | DTANZWSUBAFHCK-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate (CAS 15001-08-8), with molecular formula C19H17NO4S and molecular weight 355.09 g/mol. IUPAC: methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate.
Chemical Property Profile of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate
Property Insights of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)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 Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate?
The CAS number of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate is 15001-08-8.
What is the molecular formula of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate?
The molecular formula of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate is C19H17NO4S.
What is the molecular weight of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate?
The molecular weight of Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate is 355.09 g/mol.
Where can I buy Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate?
You can request a quote for Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,1-dioxo-3,5-diphenyl-1,4-thiazin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.