![Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate structure](/static/products/5809/58099-49-3.webp)
Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
TL;DR: Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 58099-49-3) is a chemical compound with molecular formula C12H8N2O3S and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
Also Known As: ZERO/004891, methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate, methyl 4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-2-carboxylate, Methyl 4-oxo-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-2-carboxylate, A4137/0176373
| Molecular Formula | C12H8N2O3S |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 1.6958 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.02557 |
| Heavy Atoms | 18 |
| Complexity | 818.9071 |
Chemical Identifiers
| CAS Number | 58099-49-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N2C3=CC=CC=C3SC2=N1 |
Product Overview
Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 58099-49-3), with molecular formula C12H8N2O3S and molecular weight 260.03 g/mol. IUPAC: methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate.
Chemical Property Profile of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
Property Insights of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
The XLogP value of 1.6958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate 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 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate?
The CAS number of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate is 58099-49-3.
What is the molecular formula of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular formula of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate is C12H8N2O3S.
What is the molecular weight of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular weight of Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate is 260.03 g/mol.
Where can I buy Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate?
You can request a quote for Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.