3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347350-50-9) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F0911-3594, 3-phenylpropyl 3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate, 3-Phenylpropyl 1,6-dimethyl-4-(5-methyl-2-thienyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 3-Phenylpropyl 1,6-dimethyl-4-(5-methyl-2-thienyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 347350-50-9 |
|---|---|
| SMILES | CC1=CC=C(S1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCCC3=CC=CC=C3 |
| InChIKey | PUUOTYIECJEBFJ-UHFFFAOYSA-N |
Product Overview
3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347350-50-9), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: 3-phenylpropyl 3,4-dimethyl-6-(5-methylthiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 3.6 indicates that 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 1 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 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 347350-50-9.
What is the molecular formula of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C21H24N2O3S.
What is the molecular weight of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 384.15 g/mol.
Where can I buy 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-phenylpropyl 1,6-dimethyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.