![2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/4403/440326-40-9.webp)
2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 440326-40-9) is a chemical compound with molecular formula C20H14ClFN2OS2 and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
Also Known As: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[(2-fluorophenyl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one, F6609-4594, 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one, 2-[(2-chlorobenzyl)sulfanyl]-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H14ClFN2OS2 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 5.5911 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.022 |
| Heavy Atoms | 27 |
| Complexity | 1172.0757 |
Chemical Identifiers
| CAS Number | 440326-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4Cl)F |
Product Overview
2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 440326-40-9), with molecular formula C20H14ClFN2OS2 and molecular weight 416.02 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 5.5911 indicates that 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-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 34.89 Ų, 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one is 440326-40-9.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one is C20H14ClFN2OS2.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one is 416.02 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-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 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.