![Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate structure](/static/products/5011/501112-72-7.webp)
Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate
TL;DR: Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate (CAS 501112-72-7) is a chemical compound with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate
Also Known As: Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate, ethyl 4-((2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)methyl)benzoate, ethyl 4-[[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate, ethyl 4-{[({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoate, ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin -2-ylthio)acetylamino]methyl}benzoate
| Molecular Formula | C23H25N3O4S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 3.84604 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.12866 |
| Heavy Atoms | 32 |
| Complexity | 1212.69 |
Chemical Identifiers
| CAS Number | 501112-72-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C |
Product Overview
Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate (CAS 501112-72-7), with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol. IUPAC: ethyl 4-[[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate.
Chemical Property Profile of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate
Property Insights of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate
The XLogP value of 3.84604 indicates that Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate has 1 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 Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate?
The CAS number of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate is 501112-72-7.
What is the molecular formula of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate?
The molecular formula of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate is C23H25N3O4S2.
What is the molecular weight of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate?
The molecular weight of Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate is 471.13 g/mol.
Where can I buy Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate?
You can request a quote for Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.