3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole
TL;DR: 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole (CAS 81436-66-0) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-3-yl)ethanone
Also Known As: 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole, 1-(2H-1,3,5-TRIAZINO(2,1-B)BENZOTHIAZOL-3(4H)-YL)ETHANONE, 1-(2,4-dihydro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-3-yl)ethanone, ETHANONE, 1-(2H-1,3,5-TRIAZINO(2,1-B)BENZOTHIAZOL-3(4H)-YL)-, 1-(2,4-DIHYDRO-(1,3,5)TRIAZINO(2,1-B)(1,3)BENZOTHIAZOL-3-YL)ETHANONE
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 81436-66-0 |
|---|---|
| SMILES | CC(=O)N1CN=C2N(C1)C3=CC=CC=C3S2 |
| InChIKey | KAZWWZXKGRRUTL-UHFFFAOYSA-N |
Product Overview
3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole (CAS 81436-66-0), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 1-(2,4-dihydro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-3-yl)ethanone.
Chemical Property Profile of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole
Property Insights of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole. Following Lipinski's Rule of Five, 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole 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 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole?
The CAS number of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole is 81436-66-0.
What is the molecular formula of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole?
The molecular formula of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole is C11H11N3OS.
What is the molecular weight of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole?
The molecular weight of 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole is 233.06 g/mol.
Where can I buy 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole?
You can request a quote for 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-3,4-dihydro-2H-(1,3,5)triazino(2,1-b)(1,3)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.