N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
TL;DR: N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 537679-46-2) is a chemical compound with molecular formula C23H27N3O4S and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1222-0429, N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(3,5-dimethylphenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C23H27N3O4S |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | 3.76074 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.17224 |
| Heavy Atoms | 31 |
| Complexity | 1019.5274 |
Chemical Identifiers
| CAS Number | 537679-46-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)OC)OC)OC)C)C |
Product Overview
N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 537679-46-2), with molecular formula C23H27N3O4S and molecular weight 441.17 g/mol. IUPAC: N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Property Insights of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
The XLogP value of 3.76074 indicates that N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide has 3 hydrogen bond donor(s) and 5 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 N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The CAS number of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 537679-46-2.
What is the molecular formula of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular formula of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide is C23H27N3O4S.
What is the molecular weight of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular weight of N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 441.17 g/mol.
Where can I buy N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
You can request a quote for N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.