![2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/575/575467-48-0.png)
2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 575467-48-0) is a chemical compound with molecular formula C25H22N2O5S2 and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H22N2O5S2 |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 4.7208 |
| Topological Polar Surface Area | 101.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.09702 |
| Heavy Atoms | 34 |
| Complexity | 1457.1804 |
Chemical Identifiers
| CAS Number | 575467-48-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC(=C(C=C4)O)O)SC5=C3CCCC5 |
Product Overview
2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 575467-48-0), with molecular formula C25H22N2O5S2 and molecular weight 494.10 g/mol. IUPAC: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.7208 indicates that 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 8 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 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 575467-48-0.
What is the molecular formula of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C25H22N2O5S2.
What is the molecular weight of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 494.10 g/mol.
Where can I buy 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[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-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.