ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
TL;DR: ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate (CAS 123044-10-0) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-phenyl-2-thioxo-, ethyl ester
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 123044-10-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N([C@H]1C2=CC=CC=C2)C=O)C |
| InChIKey | XVXOSLFEAXZVPB-ZDUSSCGKSA-N |
Product Overview
ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate (CAS 123044-10-0), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Property Insights of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The CAS number of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is 123044-10-0.
What is the molecular formula of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The molecular formula of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is C15H16N2O3S.
What is the molecular weight of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
The molecular weight of ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate is 304.09 g/mol.
Where can I buy ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
You can request a quote for ethyl (4S)-3-formyl-6-methyl-4-phenyl-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 (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4S)-3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.