![3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/371/371781-11-2.png)
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 371781-11-2) is a chemical compound with molecular formula C25H22BrN3O2S2 and molecular weight 539.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H22BrN3O2S2 |
|---|---|
| Molecular Weight | 539.03 g/mol |
| LogP | 5.2317 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.0337 |
| Heavy Atoms | 33 |
| Complexity | 1381.047 |
Chemical Identifiers
| CAS Number | 371781-11-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5 |
Product Overview
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 371781-11-2), with molecular formula C25H22BrN3O2S2 and molecular weight 539.03 g/mol. IUPAC: 4-benzyl-5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-methyl-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-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.2317 indicates that 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-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 55.2 Ų, 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-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-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 371781-11-2.
What is the molecular formula of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C25H22BrN3O2S2.
What is the molecular weight of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 539.03 g/mol.
Where can I buy 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-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-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-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-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-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.