2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
TL;DR: 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (CAS 58553-13-2) is a chemical compound with molecular formula C15H19N3OS and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)acetamide
Also Known As: 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide, 2-phenyl-N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)acetamide, 2-Phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide #, Acetamide, N-(1,2,3,4-tetrahydro-4,4,6-trimethyl-2-thioxo-1-pyrimidyl)-2-phenyl-, Benzeneacetamide, N-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
| Molecular Formula | C15H19N3OS |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.12488 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 58553-13-2 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1NC(=O)CC2=CC=CC=C2)(C)C |
| InChIKey | RZIOQBAFQAIXPB-UHFFFAOYSA-N |
Product Overview
2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (CAS 58553-13-2), with molecular formula C15H19N3OS and molecular weight 289.12 g/mol. IUPAC: 2-phenyl-N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)acetamide.
Chemical Property Profile of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
Property Insights of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide. Following Lipinski's Rule of Five, 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide has 2 hydrogen bond donor(s) and 2 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 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide?
The CAS number of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide is 58553-13-2.
What is the molecular formula of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide?
The molecular formula of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide is C15H19N3OS.
What is the molecular weight of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide?
The molecular weight of 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide is 289.12 g/mol.
Where can I buy 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide?
You can request a quote for 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.