Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate (CAS 477854-67-4) is a chemical compound with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
Also Known As: 11M-545S, ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate, ethyl 2-phenyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate, ethyl 2-phenyl-4-(pyrrolidin-1-yl)pyrimidine-5-carboxylate, ethyl2-phenyl-4-(pyrrolidin-1-yl)pyrimidine-5-carboxylate
| Molecular Formula | C17H19N3O2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 2.9205 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.14774 |
| Heavy Atoms | 22 |
| Complexity | 652.20856 |
Chemical Identifiers
| CAS Number | 477854-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CCCC2)C3=CC=CC=C3 |
Product Overview
Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate (CAS 477854-67-4), with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol. IUPAC: ethyl 2-phenyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
The XLogP value of 2.9205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 55.32 Ų, Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate has 0 hydrogen bond donor(s) and 5 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 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is 477854-67-4.
What is the molecular formula of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is C17H19N3O2.
What is the molecular weight of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is 297.15 g/mol.
Where can I buy Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-phenyl-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.