![ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/4503/450369-97-8.webp)
ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate (CAS 450369-97-8) is a chemical compound with molecular formula C22H19FN2O4S2 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 2-[(3-fluorobenzyl)thio]-3-(2-furylmethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C22H19FN2O4S2 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 5.01582 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.07703 |
| Heavy Atoms | 31 |
| Complexity | 1295.0798 |
Chemical Identifiers
| CAS Number | 450369-97-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC4=CC(=CC=C4)F)C |
Product Overview
ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate (CAS 450369-97-8), with molecular formula C22H19FN2O4S2 and molecular weight 458.08 g/mol. IUPAC: ethyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 5.01582 indicates that ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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 ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is 450369-97-8.
What is the molecular formula of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is C22H19FN2O4S2.
What is the molecular weight of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate is 458.08 g/mol.
Where can I buy ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.