![3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one structure](/static/products/3189/318949-47-2.webp)
3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
TL;DR: 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 318949-47-2) is a chemical compound with molecular formula C13H8N4OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: Bionet2_000765, 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, 3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one, 7B-035, 12-(1H-pyrazol-5-yl)-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-13-one
| Molecular Formula | C13H8N4OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 2.2993 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.04187 |
| Heavy Atoms | 19 |
| Complexity | 936.2549 |
Chemical Identifiers
| CAS Number | 318949-47-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C4=CC=NN4 |
Product Overview
3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 318949-47-2), with molecular formula C13H8N4OS and molecular weight 268.04 g/mol. IUPAC: 3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Property Insights of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
The XLogP value of 2.2993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one. Following Lipinski's Rule of Five, 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one 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 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The CAS number of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 318949-47-2.
What is the molecular formula of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular formula of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is C13H8N4OS.
What is the molecular weight of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular weight of 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 268.04 g/mol.
Where can I buy 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
You can request a quote for 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-pyrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.