![3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/5886/588682-61-5.webp)
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 588682-61-5) is a chemical compound with molecular formula C18H20N2O3S2 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-4-hydroxythieno[2,3-d]pyrimidine-2-thione
| Molecular Formula | C18H20N2O3S2 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 3.94289 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.09152 |
| Heavy Atoms | 25 |
| Complexity | 1017.3136 |
Chemical Identifiers
| CAS Number | 588682-61-5 |
|---|---|
| SMILES | CCC1=CC2=C(S1)NC(=S)N(C2=O)CCC3=CC(=C(C=C3)OC)OC |
Product Overview
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 588682-61-5), with molecular formula C18H20N2O3S2 and molecular weight 376.09 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.94289 indicates that 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 5 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-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 588682-61-5.
What is the molecular formula of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C18H20N2O3S2.
What is the molecular weight of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 376.09 g/mol.
Where can I buy 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.