Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5993-54-4) is a chemical compound with molecular formula C18H24N4O3S and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ETHYL 4-[3-(DIMETHYLCARBAMOYLAMINO)PHENYL]-1,6-DIMETHYL-2-SULFANYLIDENE-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, Ethyl 4-{3-[(dimethylcarbamoyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H24N4O3S |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 2.4782 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.15692 |
| Heavy Atoms | 26 |
| Complexity | 760.55804 |
Chemical Identifiers
| CAS Number | 5993-54-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)N(C)C)C)C |
Product Overview
Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5993-54-4), with molecular formula C18H24N4O3S and molecular weight 376.16 g/mol. IUPAC: ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.4782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 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 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 5993-54-4.
What is the molecular formula of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C18H24N4O3S.
What is the molecular weight of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 376.16 g/mol.
Where can I buy Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-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 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(3,3-dimethylureido)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.