ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
TL;DR: ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate (CAS 303141-19-7) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate, ETHYL 3-ACETYL-4-(1,3-BENZODIOXOL-5-YL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3-acetyl-4-(benzo[d][1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-acetyl-4-methyl-2-thioxo-1,3,6-tr ihydropyrimidine-5-carboxylate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.0301 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 789.2429 |
Chemical Identifiers
| CAS Number | 303141-19-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N(C1C2=CC3=C(C=C2)OCO3)C(=O)C)C |
Product Overview
ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate (CAS 303141-19-7), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Property Insights of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
The XLogP value of 2.0301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate has 1 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 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The CAS number of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is 303141-19-7.
What is the molecular formula of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The molecular formula of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is C17H18N2O5S.
What is the molecular weight of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The molecular weight of ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is 362.09 g/mol.
Where can I buy ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
You can request a quote for ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.