![methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate structure](/static/products/6867/686772-74-7.webp)
methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate
TL;DR: methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate (CAS 686772-74-7) is a chemical compound with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-({[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}methyl)-2-furoate
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 3.9513 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 1121.4156 |
Chemical Identifiers
| CAS Number | 686772-74-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(O4)C(=O)OC |
Product Overview
methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate (CAS 686772-74-7), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate
Property Insights of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate
The XLogP value of 3.9513 indicates that methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate has 0 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 methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate?
The CAS number of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate is 686772-74-7.
What is the molecular formula of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate?
The molecular formula of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate is C21H20N2O5S2.
What is the molecular weight of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate?
The molecular weight of methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate is 444.08 g/mol.
Where can I buy methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate?
You can request a quote for methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.