![3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5855/585562-82-9.webp)
3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 585562-82-9) is a chemical compound with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(2-furylmethyl)-2-[(3-methoxyphenyl)methylthio]-5,6-dimethyl-3-hydrothiophen o[2,3-d]pyrimidin-4-one, 3-(furan-2-ylmethyl)-2-((3-methoxybenzyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one, 3-(furan-2-ylmethyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6-dimethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H20N2O3S2 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09152 |
| Heavy Atoms | 28 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 585562-82-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CO4)C |
| InChIKey | DUXAMELAIUENOI-UHFFFAOYSA-N |
Product Overview
3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 585562-82-9), with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.7 indicates that 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 585562-82-9.
What is the molecular formula of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is C21H20N2O3S2.
What is the molecular weight of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 412.09 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-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 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.