![3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one structure](/static/products/6569/65692-00-4.webp)
3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
TL;DR: 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 65692-00-4) is a chemical compound with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylpyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, 3-acetylpyrimido[2,1-b][1,3]benzothiazol-4-one, 3-acetyl-benzo[4,5]thiazolo[3,2-a]pyrimidin-4-one, 7B-026, 12-acetyl-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-13-one
| Molecular Formula | C12H8N2O2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.1118 |
| Topological Polar Surface Area | 51.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.03065 |
| Heavy Atoms | 17 |
| Complexity | 800.97217 |
Chemical Identifiers
| CAS Number | 65692-00-4 |
|---|---|
| SMILES | CC(=O)C1=CN=C2N(C1=O)C3=CC=CC=C3S2 |
Product Overview
3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 65692-00-4), with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol. IUPAC: 3-acetylpyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Property Insights of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
The XLogP value of 2.1118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one. With a topological polar surface area (TPSA) of 51.44 Ų, 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one has 0 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-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The CAS number of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 65692-00-4.
What is the molecular formula of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular formula of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is C12H8N2O2S.
What is the molecular weight of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular weight of 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 244.03 g/mol.
Where can I buy 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
You can request a quote for 3-acetyl-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-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.