Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate
TL;DR: Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate (CAS 231630-20-9) is a chemical compound with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxo-3-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate
Also Known As: Maybridge3_007076, IDI1_018463, 7-methoxycarbonyl-3-phenyl[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one, Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo[3,4-b][1,3]thiazine-7-carboxylate, methyl 5-oxo-3-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate
| Molecular Formula | C13H9N3O3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 1.6046 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.03647 |
| Heavy Atoms | 20 |
| Complexity | 838.9387 |
Chemical Identifiers
| CAS Number | 231630-20-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N2C(=NN=C2S1)C3=CC=CC=C3 |
Product Overview
Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate (CAS 231630-20-9), with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol. IUPAC: methyl 5-oxo-3-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate.
Chemical Property Profile of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate
Property Insights of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate
The XLogP value of 1.6046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate. Following Lipinski's Rule of Five, Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate has 0 hydrogen bond donor(s) and 6 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 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate?
The CAS number of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate is 231630-20-9.
What is the molecular formula of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate?
The molecular formula of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate is C13H9N3O3S.
What is the molecular weight of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate?
The molecular weight of Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate is 287.04 g/mol.
Where can I buy Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate?
You can request a quote for Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-oxo-3-phenyl-5H-1,2,4-triazolo(3,4-b)(1,3)thiazine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.