![1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one structure](/static/products/368/368889-65-0.png)
1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
TL;DR: 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one (CAS 368889-65-0) is a chemical compound with molecular formula C17H14N4OS and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenyl-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
Also Known As: 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, 1-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C17H14N4OS |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 2.9737 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.08884 |
| Heavy Atoms | 23 |
| Complexity | 1090.6284 |
Chemical Identifiers
| CAS Number | 368889-65-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)C=NN4C5=CC=CC=C5 |
Product Overview
1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one (CAS 368889-65-0), with molecular formula C17H14N4OS and molecular weight 322.09 g/mol. IUPAC: 12-phenyl-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one.
Chemical Property Profile of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Property Insights of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
The XLogP value of 2.9737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one. With a topological polar surface area (TPSA) of 52.19 Ų, 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-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 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The CAS number of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is 368889-65-0.
What is the molecular formula of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The molecular formula of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is C17H14N4OS.
What is the molecular weight of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The molecular weight of 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is 322.09 g/mol.
Where can I buy 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
You can request a quote for 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.