![methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate structure](/static/products/6875/687562-41-0.webp)
methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
TL;DR: methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate (CAS 687562-41-0) is a chemical compound with molecular formula C19H15FN2O4S2 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-{[6-(p-fluorophenyl)-7-oxo-1-thia-4,6-diaza-5-indanylthio]methyl}-2-furoate, REGID_for_CID_2052861
| Molecular Formula | C19H15FN2O4S2 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 3.6917 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.04572 |
| Heavy Atoms | 28 |
| Complexity | 1092.3033 |
Chemical Identifiers
| CAS Number | 687562-41-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SCC3 |
Product Overview
methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate (CAS 687562-41-0), with molecular formula C19H15FN2O4S2 and molecular weight 418.05 g/mol. IUPAC: methyl 5-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
Property Insights of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
The XLogP value of 3.6917 indicates that methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate has 0 hydrogen bond donor(s) and 7 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-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate?
The CAS number of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate is 687562-41-0.
What is the molecular formula of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate?
The molecular formula of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate is C19H15FN2O4S2.
What is the molecular weight of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate?
The molecular weight of methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate is 418.05 g/mol.
Where can I buy methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate?
You can request a quote for methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}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-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.