Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate (CAS 76360-76-4) is a chemical compound with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-anilino-2-phenylpyrimidine-5-carboxylate
Also Known As: BAS 00317821, BIM-0018772.P001, ethyl 4-anilino-2-phenylpyrimidine-5-carboxylate, ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate, 4-anilino-2-phenyl-5-pyrimidine carboxylic acid ethyl ester
| Molecular Formula | C19H17N3O2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.13208 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 76360-76-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CNZHSDPTVCLPRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate (CAS 76360-76-4), with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol. IUPAC: ethyl 4-anilino-2-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate
The XLogP value of 4.5 indicates that Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate has 1 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 4-anilino-2-phenyl-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate is 76360-76-4.
What is the molecular formula of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate is C19H17N3O2.
What is the molecular weight of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate is 319.13 g/mol.
Where can I buy Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-anilino-2-phenyl-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 4-anilino-2-phenyl-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.