ChemDiv3_001863
TL;DR: ChemDiv3_001863 (CAS 65789-90-4) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
Also Known As: ChemDiv3_001863, ethyl 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate, IDI1_020829, BRD-K74165317-001-01-3, ethyl 4-[(6-methyl-2-phenyl-4-pyrimidinyl)amino]benzoate
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 65789-90-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC=CC=C3 |
| InChIKey | MHPIVQZZFBEHAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv3_001863 (CAS 65789-90-4), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: ethyl 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of ChemDiv3_001863
Property Insights of ChemDiv3_001863
The XLogP value of 4.4 indicates that ChemDiv3_001863 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 ChemDiv3_001863. Following Lipinski's Rule of Five, ChemDiv3_001863 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 ChemDiv3_001863?
The CAS number of ChemDiv3_001863 is 65789-90-4.
What is the molecular formula of ChemDiv3_001863?
The molecular formula of ChemDiv3_001863 is C20H19N3O2.
What is the molecular weight of ChemDiv3_001863?
The molecular weight of ChemDiv3_001863 is 333.15 g/mol.
Where can I buy ChemDiv3_001863?
You can request a quote for ChemDiv3_001863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001863?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.