Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 14903-93-6) is a chemical compound with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H, ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-(5-nitro-2-thienyl)-2-oxo-, ethyl ester, Ethyl 6-methyl-4-(5-nitro-2-thienyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C12H13N3O5S |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0576 |
| Heavy Atoms | 21 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 14903-93-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)[N+](=O)[O-])C |
| InChIKey | JPBWYJNCYGGSKF-UHFFFAOYSA-N |
Product Overview
Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 14903-93-6), with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol. IUPAC: ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 141.0 Ų indicates high polarity, suggesting Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 6 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 Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 14903-93-6.
What is the molecular formula of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C12H13N3O5S.
What is the molecular weight of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 311.06 g/mol.
Where can I buy Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-methyl-4-(5-nitrothiophen-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 Ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methyl-4-(5-nitrothiophen-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.