![3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/351/351008-76-9.png)
3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351008-76-9) is a chemical compound with molecular formula C32H31N3OS2 and molecular weight 537.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-dibenzyl-5-[(2,4-dimethylphenyl)methylsulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3,7-dibenzyl-2-((2,4-dimethylbenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C32H31N3OS2 |
|---|---|
| Molecular Weight | 537.19 g/mol |
| LogP | 6.97374 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.19086 |
| Heavy Atoms | 38 |
| Complexity | 1640.9581 |
Chemical Identifiers
| CAS Number | 351008-76-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2CC6=CC=CC=C6)C |
Product Overview
3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351008-76-9), with molecular formula C32H31N3OS2 and molecular weight 537.19 g/mol. IUPAC: 4,11-dibenzyl-5-[(2,4-dimethylphenyl)methylsulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 6.97374 indicates that 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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, 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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, 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 351008-76-9.
What is the molecular formula of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C32H31N3OS2.
What is the molecular weight of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 537.19 g/mol.
Where can I buy 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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 3,7-dibenzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-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.