![Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate structure](/static/products/5993/5993-47-5.webp)
Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5993-47-5) is a chemical compound with molecular formula C23H25N3O3S and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethyl-4-methyl-6-[4-[(2-phenylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, METHYL 1-ETHYL-6-METHYL-4-[4-[(2-PHENYLACETYL)AMINO]PHENYL]-2-SULFANYLIDENE-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, methyl 3-ethyl-4-methyl-6-[4-[(2-phenylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C23H25N3O3S |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 3.5659 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.16165 |
| Heavy Atoms | 30 |
| Complexity | 970.9477 |
Chemical Identifiers
| CAS Number | 5993-47-5 |
|---|---|
| SMILES | CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)OC)C |
Product Overview
Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 5993-47-5), with molecular formula C23H25N3O3S and molecular weight 423.16 g/mol. IUPAC: methyl 3-ethyl-4-methyl-6-[4-[(2-phenylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 3.5659 indicates that Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-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 Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 5993-47-5.
What is the molecular formula of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C23H25N3O3S.
What is the molecular weight of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 423.16 g/mol.
Where can I buy Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-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 Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-ethyl-6-methyl-4-[4-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.