![2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/6777/677754-53-9.webp)
2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 677754-53-9) is a chemical compound with molecular formula C22H19FN2O2S2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((4-fluorobenzyl)thio)-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(4-fluorophenyl)methylthio]-3-(2-furylmethyl)-3,5,6,7,8-pentahydrobenzo[b]t hiopheno[2,3-d]pyrimidin-4-one, 5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C22H19FN2O2S2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 5.4095 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0872 |
| Heavy Atoms | 29 |
| Complexity | 1210.5701 |
Chemical Identifiers
| CAS Number | 677754-53-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC5=CC=C(C=C5)F |
Product Overview
2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 677754-53-9), with molecular formula C22H19FN2O2S2 and molecular weight 426.09 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.4095 indicates that 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[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 48.03 Ų, 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-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-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 677754-53-9.
What is the molecular formula of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C22H19FN2O2S2.
What is the molecular weight of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 426.09 g/mol.
Where can I buy 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[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 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.