![4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one structure](/static/products/488/488802-27-3.png)
4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
TL;DR: 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one (CAS 488802-27-3) is a chemical compound with molecular formula C18H17N5OS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-phenylethyl)-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one, 4-phenethyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one, 7-(2-Phenylethyl)-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
| Molecular Formula | C18H17N5OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.6222 |
| Topological Polar Surface Area | 65.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1154 |
| Heavy Atoms | 25 |
| Complexity | 1125.2396 |
Chemical Identifiers
| CAS Number | 488802-27-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=NN=N4)N(C3=O)CCC5=CC=CC=C5 |
Product Overview
4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one (CAS 488802-27-3), with molecular formula C18H17N5OS and molecular weight 351.12 g/mol. IUPAC: 7-(2-phenylethyl)-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
Property Insights of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
The XLogP value of 2.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one. The TPSA of 65.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one. Following Lipinski's Rule of Five, 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one has 0 hydrogen bond donor(s) and 5 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 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one?
The CAS number of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one is 488802-27-3.
What is the molecular formula of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one?
The molecular formula of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one is C18H17N5OS.
What is the molecular weight of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one?
The molecular weight of 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one is 351.12 g/mol.
Where can I buy 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one?
You can request a quote for 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.