5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester
TL;DR: 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester (CAS 568568-16-1) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester, 2-methylpropyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-methylpropyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4- -,2-methylpropylester, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-, 2-methylpropyl ester (9CI)
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.5752 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 534.6237 |
Chemical Identifiers
| CAS Number | 568568-16-1 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CSC=C2)C(=O)OCC(C)C |
Product Overview
5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester (CAS 568568-16-1), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 2-methylpropyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester
Property Insights of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester
The XLogP value of 2.5752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester. Following Lipinski's Rule of Five, 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester has 2 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 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester?
The CAS number of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester is 568568-16-1.
What is the molecular formula of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester?
The molecular formula of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester is C14H18N2O3S.
What is the molecular weight of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester?
The molecular weight of 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester is 294.10 g/mol.
Where can I buy 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester?
You can request a quote for 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.