![2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5787/578736-76-2.webp)
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 578736-76-2) is a chemical compound with molecular formula C20H16ClFN2O2S2 and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-chloro-6-fluorobenzyl)thio)-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one, 2-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-furylmethyl)-5,6-dimethyl-3-hydro thiopheno[2,3-d]pyrimidin-4-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(furan-2-ylmethyl)-5,6-dimethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H16ClFN2O2S2 |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 5.80094 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.03256 |
| Heavy Atoms | 28 |
| Complexity | 1195.1421 |
Chemical Identifiers
| CAS Number | 578736-76-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CO4)C |
Product Overview
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 578736-76-2), with molecular formula C20H16ClFN2O2S2 and molecular weight 434.03 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.80094 indicates that 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[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-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[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-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 578736-76-2.
What is the molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is C20H16ClFN2O2S2.
What is the molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 434.03 g/mol.
Where can I buy 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[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-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.