![4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide structure](/static/products/7579/757944-72-2.webp)
4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
TL;DR: 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 757944-72-2) is a chemical compound with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2,4-dimethylphenyl)-6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C27H27N3O2S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 5.31394 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1824 |
| Heavy Atoms | 33 |
| Complexity | 1203.7959 |
Chemical Identifiers
| CAS Number | 757944-72-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C |
Product Overview
4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 757944-72-2), with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol. IUPAC: N-(2,4-dimethylphenyl)-6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Property Insights of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
The XLogP value of 5.31394 indicates that 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-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 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The CAS number of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 757944-72-2.
What is the molecular formula of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular formula of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is C27H27N3O2S.
What is the molecular weight of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular weight of 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 457.18 g/mol.
Where can I buy 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
You can request a quote for 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-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 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzyloxy)phenyl]-N-(2,4-dimethylphenyl)-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.