N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
TL;DR: N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide (CAS 537678-62-9) is a chemical compound with molecular formula C21H22FN3O4S and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide, N-(4-FLUOROPHENYL)-6-METHYL-2-SULFANYLIDENE-4-(3,4,5-TRIMETHOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE, N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-fluorophenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C21H22FN3O4S |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 3.283 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1315 |
| Heavy Atoms | 30 |
| Complexity | 982.8062 |
Chemical Identifiers
| CAS Number | 537678-62-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3=CC=C(C=C3)F |
Product Overview
N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide (CAS 537678-62-9), with molecular formula C21H22FN3O4S and molecular weight 431.13 g/mol. IUPAC: N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
Property Insights of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
The XLogP value of 3.283 indicates that N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-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-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-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-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide?
The CAS number of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide is 537678-62-9.
What is the molecular formula of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide?
The molecular formula of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide is C21H22FN3O4S.
What is the molecular weight of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide?
The molecular weight of N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide is 431.13 g/mol.
Where can I buy N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide?
You can request a quote for N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-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-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-4-methyl-2-sulfanyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.