8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one
TL;DR: 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one (CAS 81664-76-8) is a chemical compound with molecular formula C11H5ClN6OS and molecular weight 303.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one, 8-chloro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one, 8-chloro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazo, 8-chloro-3-(1H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one, 8-CHLORO-3-(1H-TETRAZOL-5-YL)-4H-PYRIMIDO[2,1-B](1,3)BENZOTHIAZOL-4-ONE
| Molecular Formula | C11H5ClN6OS |
|---|---|
| Molecular Weight | 303.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.9934 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 81664-76-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)SC3=NC=C(C(=O)N23)C4=NNN=N4 |
| InChIKey | SIUOKGDASHEYNL-UHFFFAOYSA-N |
Product Overview
8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one (CAS 81664-76-8), with molecular formula C11H5ClN6OS and molecular weight 303.99 g/mol. IUPAC: 8-chloro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one
Property Insights of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one. Following Lipinski's Rule of Five, 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one has 1 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 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one?
The CAS number of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one is 81664-76-8.
What is the molecular formula of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one?
The molecular formula of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one is C11H5ClN6OS.
What is the molecular weight of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one?
The molecular weight of 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one is 303.99 g/mol.
Where can I buy 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one?
You can request a quote for 8-Chloro-3-(1H-tetrazol-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 8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-3-(1H-tetrazol-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.