propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
TL;DR: propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CAS 498568-38-0) is a chemical compound with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(2-phenylethenyl)-, 1-methylethyl ester (9CI)
| Molecular Formula | C17H20N2O3 |
|---|---|
| Molecular Weight | 300.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.1474 |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 498568-38-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C=CC2=CC=CC=C2)C(=O)OC(C)C |
| InChIKey | IXHONPOIKWETGP-UHFFFAOYSA-N |
Product Overview
propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CAS 498568-38-0), with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol. IUPAC: propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Property Insights of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 3 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 propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The CAS number of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is 498568-38-0.
What is the molecular formula of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The molecular formula of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is C17H20N2O3.
What is the molecular weight of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The molecular weight of propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is 300.15 g/mol.
Where can I buy propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
You can request a quote for propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 6-methyl-2-oxo-4-(2-phenylethenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.