N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
TL;DR: N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 455926-84-8) is a chemical compound with molecular formula C19H18FN3O3S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1222-0402, N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C19H18FN3O3S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 2.9714 |
| Topological Polar Surface Area | 82.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1053 |
| Heavy Atoms | 27 |
| Complexity | 928.2972 |
Chemical Identifiers
| CAS Number | 455926-84-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)NC3=CC=C(C=C3)F |
Product Overview
N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 455926-84-8), with molecular formula C19H18FN3O3S and molecular weight 387.11 g/mol. IUPAC: N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Property Insights of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
The XLogP value of 2.9714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide. The TPSA of 82.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide has 4 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 N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The CAS number of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 455926-84-8.
What is the molecular formula of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular formula of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is C19H18FN3O3S.
What is the molecular weight of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular weight of N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 387.11 g/mol.
Where can I buy N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
You can request a quote for N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-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-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-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.