![4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine structure](/static/products/799/799809-38-4.png)
4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 799809-38-4) is a chemical compound with molecular formula C18H17FN2S3 and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-[(4-fluorobenzyl)sulfanyl]-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C18H17FN2S3 |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 5.7234 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0538 |
| Heavy Atoms | 24 |
| Complexity | 874.09644 |
Chemical Identifiers
| CAS Number | 799809-38-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC4=CC=C(C=C4)F |
Product Overview
4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 799809-38-4), with molecular formula C18H17FN2S3 and molecular weight 376.05 g/mol. IUPAC: 4-[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
The XLogP value of 5.7234 indicates that 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine 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 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 799809-38-4.
What is the molecular formula of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is C18H17FN2S3.
What is the molecular weight of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 376.05 g/mol.
Where can I buy 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-fluorobenzyl)thio)-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.