![8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one structure](/static/products/7579/75791-84-3.webp)
8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
TL;DR: 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 75791-84-3) is a chemical compound with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 8-chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one, 8-chloro-2-methyl-4h-pyrimido[2,1-b]benzothiazol-4-one, 8-Chloro-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
| Molecular Formula | C11H7ClN2OS |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.99677 |
| Heavy Atoms | 16 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 75791-84-3 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=C(C=C(C=C3)Cl)SC2=N1 |
| InChIKey | RKHOUKXPOFBGTA-UHFFFAOYSA-N |
Product Overview
8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 75791-84-3), with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol. IUPAC: 8-chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
Property Insights of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one. With a topological polar surface area (TPSA) of 58.0 Ų, 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one has 0 hydrogen bond donor(s) and 3 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-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The CAS number of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one is 75791-84-3.
What is the molecular formula of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular formula of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one is C11H7ClN2OS.
What is the molecular weight of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular weight of 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one is 250.00 g/mol.
Where can I buy 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
You can request a quote for 8-Chloro-2-methylpyrimido[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-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.