![2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/6867/686772-91-8.webp)
2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686772-91-8) is a chemical compound with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, F0579-0498, 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H19ClN2O2S2 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 5.2251 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.05765 |
| Heavy Atoms | 28 |
| Complexity | 1051.2615 |
Chemical Identifiers
| CAS Number | 686772-91-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=CC=C4Cl |
Product Overview
2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686772-91-8), with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 5.2251 indicates that 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[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 44.12 Ų, 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[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-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-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 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 686772-91-8.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is C21H19ClN2O2S2.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 430.06 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[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-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chlorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.