![7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE structure](/static/products/351/351008-58-7.png)
7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
TL;DR: 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 351008-58-7) is a chemical compound with molecular formula C27H29N3OS2 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-5-(3-methylbutylsulfanyl)-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 7-benzyl-2-(isopentylthio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-benzyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C27H29N3OS2 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 6.1437 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.1752 |
| Heavy Atoms | 33 |
| Complexity | 1295.9482 |
Chemical Identifiers
| CAS Number | 351008-58-7 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5 |
Product Overview
7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 351008-58-7), with molecular formula C27H29N3OS2 and molecular weight 475.18 g/mol. IUPAC: 11-benzyl-5-(3-methylbutylsulfanyl)-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Property Insights of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
The XLogP value of 6.1437 indicates that 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The CAS number of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 351008-58-7.
What is the molecular formula of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular formula of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is C27H29N3OS2.
What is the molecular weight of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular weight of 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 475.18 g/mol.
Where can I buy 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
You can request a quote for 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
Yes, KEHONG BIO provides custom synthesis services for 7-BENZYL-2-(ISOPENTYLSULFANYL)-3-PHENYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.