![4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide structure](/static/products/847/84712-26-5.png)
4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
TL;DR: 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CAS 84712-26-5) is a chemical compound with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Also Known As: NCI60_024054, 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide, 4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide, 4H-Pyrimido[2,1-b]benzothiazole-3-carboxamide, 4-oxo-, 13-oxo-8-thia-1,10-diazatricyclo[7.4.0.02,7]trideca-2,4,6,9,11-pentaene-12-carboxamide
| Molecular Formula | C11H7N3O2S |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.0259 |
| Heavy Atoms | 17 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 84712-26-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C(=O)N |
| InChIKey | QDMCZXWTOWBPEG-UHFFFAOYSA-N |
Product Overview
4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CAS 84712-26-5), with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol. IUPAC: 4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
Chemical Property Profile of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Property Insights of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide. Following Lipinski's Rule of Five, 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 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 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The CAS number of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is 84712-26-5.
What is the molecular formula of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The molecular formula of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is C11H7N3O2S.
What is the molecular weight of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The molecular weight of 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is 245.03 g/mol.
Where can I buy 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
You can request a quote for 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.