Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
TL;DR: Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate (CAS 28945-63-3) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
Also Known As: ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate, Ethyl 4-chloro-2-phenyl-5-pyrimidinecarboxylate, 5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, ethyl ester, ethylchlorophenylpyrimidinecarboxylate, 1907AB
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 28945-63-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)C2=CC=CC=C2 |
| InChIKey | VXWYTPARKVGWFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate (CAS 28945-63-3), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
Property Insights of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
The XLogP value of 3.0 indicates that Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate has 0 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 4-chloro-2-phenylpyrimidine-5-carboxylate?
The CAS number of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate is 28945-63-3.
What is the molecular formula of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate is C13H11ClN2O2.
What is the molecular weight of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate is 262.05 g/mol.
Where can I buy Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-chloro-2-phenylpyrimidine-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 4-chloro-2-phenylpyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.