![4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one structure](/static/products/848/848669-87-4.png)
4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
TL;DR: 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 848669-87-4) is a chemical compound with molecular formula C27H24FN5OS2 and molecular weight 517.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-3-[(2-fluorophenyl)methylsulfanyl]-7-prop-2-enyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 8-benzyl-1-[(2-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C27H24FN5OS2 |
|---|---|
| Molecular Weight | 517.14 g/mol |
| LogP | 5.2814 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1406 |
| Heavy Atoms | 36 |
| Complexity | 1639.3104 |
Chemical Identifiers
| CAS Number | 848669-87-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N3C1=NN=C3SCC4=CC=CC=C4F)SC5=C2CCN(C5)CC6=CC=CC=C6 |
Product Overview
4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 848669-87-4), with molecular formula C27H24FN5OS2 and molecular weight 517.14 g/mol. IUPAC: 13-benzyl-3-[(2-fluorophenyl)methylsulfanyl]-7-prop-2-enyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Property Insights of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
The XLogP value of 5.2814 indicates that 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.43 Ų, 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The CAS number of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 848669-87-4.
What is the molecular formula of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular formula of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is C27H24FN5OS2.
What is the molecular weight of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular weight of 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 517.14 g/mol.
Where can I buy 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
You can request a quote for 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-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-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-8-benzyl-1-((2-fluorobenzyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.