ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate
TL;DR: ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate (CAS 5331-76-0) is a chemical compound with molecular formula C20H28N2O5S and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate
Also Known As: ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C20H28N2O5S |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 3.6914 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1719 |
| Heavy Atoms | 28 |
| Complexity | 763.7959 |
Chemical Identifiers
| CAS Number | 5331-76-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C(=C2)OC)OC)OC)SC(C)C)C |
Product Overview
ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate (CAS 5331-76-0), with molecular formula C20H28N2O5S and molecular weight 408.17 g/mol. IUPAC: ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate
Property Insights of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate
The XLogP value of 3.6914 indicates that ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate 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 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate is 5331-76-0.
What is the molecular formula of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate is C20H28N2O5S.
What is the molecular weight of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate is 408.17 g/mol.
Where can I buy ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-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 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.