![ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate structure](/static/products/5787/578736-56-8.webp)
ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate
TL;DR: ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate (CAS 578736-56-8) is a chemical compound with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]acetate
Also Known As: ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate, ethyl 2-(2-((3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)acetate, ethyl 2-(2-{[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]acetate, ethyl N-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C19H21N3O5S2 |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 2.48754 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.09225 |
| Heavy Atoms | 29 |
| Complexity | 1085.6436 |
Chemical Identifiers
| CAS Number | 578736-56-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC3=CC=CO3 |
Product Overview
ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate (CAS 578736-56-8), with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol. IUPAC: ethyl 2-[[2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]acetate.
Chemical Property Profile of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate
Property Insights of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate
The XLogP value of 2.48754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate. Following Lipinski's Rule of Five, ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate has 1 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 ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate?
The CAS number of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate is 578736-56-8.
What is the molecular formula of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate?
The molecular formula of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate is C19H21N3O5S2.
What is the molecular weight of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate?
The molecular weight of ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate is 435.09 g/mol.
Where can I buy ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate?
You can request a quote for ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimi din-2-ylthio]acetylamino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.