N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
TL;DR: N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 497243-62-6) is a chemical compound with molecular formula C21H21F2N3OS and molecular weight 401.13733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-difluorophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(3,4-difluorophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(3,4-difluorophenyl)-6-methyl-4-[4-(propan-2-yl)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Technical Specifications
| Molecular Formula | C21H21F2N3OS |
| Molecular Weight | 401.13733 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13733 Da |
| Heavy Atoms | 28 |
| Complexity | 631.0 |
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC(=C(C=C3)F)F |
| InChIKey | IXCBFNNRMZILII-UHFFFAOYSA-N |
Chemical Property Profile of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Property Insights of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
The XLogP value of 3.9 indicates that N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The CAS number of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 497243-62-6.
What is the molecular formula of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular formula of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is C21H21F2N3OS.
What is the molecular weight of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular weight of N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 401.13733 g/mol.
Where can I buy N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
You can request a quote for N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(3,4-difluorophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.