Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester (CAS 56302-63-7) is a chemical compound with molecular formula C20H18FN3O2 and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]benzoate
Also Known As: 5-25-11-00250 (Beilstein Handbook Reference), Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester, Ethyl 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoate, ethyl 4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]benzoate, Ethyl 4-{[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino}benzoate
| Molecular Formula | C20H18FN3O2 |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.51142 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1383 |
| Heavy Atoms | 26 |
| Complexity | 926.59436 |
Chemical Identifiers
| CAS Number | 56302-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC(=CC=C3)F |
Product Overview
Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester (CAS 56302-63-7), with molecular formula C20H18FN3O2 and molecular weight 351.14 g/mol. IUPAC: ethyl 4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester
The XLogP value of 4.51142 indicates that Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester 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 Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester is 56302-63-7.
What is the molecular formula of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester is C20H18FN3O2.
What is the molecular weight of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester is 351.14 g/mol.
Where can I buy Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.