![ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate structure](/static/products/4337/433701-31-6.webp)
ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
TL;DR: ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate (CAS 433701-31-6) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5,6-dimethyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
Also Known As: ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate, (E)-ethyl 2-((3-cinnamyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetate, ethyl 2-[5,6-dimethyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.44344 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1068.6844 |
Chemical Identifiers
| CAS Number | 433701-31-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C/C=C/C3=CC=CC=C3 |
Product Overview
ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate (CAS 433701-31-6), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: ethyl 2-[5,6-dimethyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
Property Insights of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
The XLogP value of 4.44344 indicates that ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate has 0 hydrogen bond donor(s) and 6 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 ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate?
The CAS number of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate is 433701-31-6.
What is the molecular formula of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate?
The molecular formula of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate is C21H22N2O3S2.
What is the molecular weight of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate?
The molecular weight of ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate is 414.11 g/mol.
Where can I buy ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate?
You can request a quote for ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl ({5,6-dimethyl-4-oxo-3-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.