4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)
TL;DR: 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) (CAS 284665-33-4) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate
Also Known As: BRD-K90071604-001-01-5, 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate), 6-Methyl-2-(4-methylphenyl)-4-pyrimidinyl 4-methylbenzenesulfonate, Benzenesulfonic acid, 4-methyl-, [6-methyl-2-(4-methylphenyl)-4-pyrimidyl] ester, [6-methyl-2-(4-methylphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 284665-33-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=CC(=N2)OS(=O)(=O)C3=CC=C(C=C3)C)C |
| InChIKey | BXXPNBVKKWHCIO-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) (CAS 284665-33-4), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: [6-methyl-2-(4-methylphenyl)pyrimidin-4-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)
Property Insights of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)
The XLogP value of 4.4 indicates that 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) has 0 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 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)?
The CAS number of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) is 284665-33-4.
What is the molecular formula of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)?
The molecular formula of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) is C19H18N2O3S.
What is the molecular weight of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)?
The molecular weight of 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) is 354.10 g/mol.
Where can I buy 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)?
You can request a quote for 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinol, 6-methyl-2-(4-methylphenyl)-, 4-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.