Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate (CAS 5770-19-4) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-1-benzyl-2-oxopyrimidine-5-carboxylate
Also Known As: ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-amino-1-benzyl-2-oxopyrimidine-5-carboxylate
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 5770-19-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)N=C1)CC2=CC=CC=C2)N |
| InChIKey | JGGABHAXMNCZQF-UHFFFAOYSA-N |
Product Overview
Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate (CAS 5770-19-4), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: ethyl 6-amino-1-benzyl-2-oxopyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-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 Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate is 5770-19-4.
What is the molecular formula of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate is C14H15N3O3.
What is the molecular weight of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate is 273.11 g/mol.
Where can I buy Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-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-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-1-benzyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.