4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid
TL;DR: 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid (CAS 89573-06-8) is a chemical compound with molecular formula C27H27FN2O3 and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[(2-fluorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
Also Known As: 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid, 4-(2-(((2-Fluorophenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)benzoic acid, Benzoic acid, 4-(2-(((2-fluorophenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)-, 4-[2-({(2-Fluorophenyl)[2-(piperidin-1-yl)phenyl]methyl}imino)-2-hydroxyethyl]benzoic acid, 4-[2-[[(2-fluorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
| Molecular Formula | C27H27FN2O3 |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 4.9625 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.20056 |
| Heavy Atoms | 33 |
| Complexity | 1124.2202 |
Chemical Identifiers
| CAS Number | 89573-06-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=C3F)NC(=O)CC4=CC=C(C=C4)C(=O)O |
Product Overview
4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid (CAS 89573-06-8), with molecular formula C27H27FN2O3 and molecular weight 446.20 g/mol. IUPAC: 4-[2-[[(2-fluorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid.
Chemical Property Profile of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid
Property Insights of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid
The XLogP value of 4.9625 indicates that 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid. Following Lipinski's Rule of Five, 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid?
The CAS number of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid is 89573-06-8.
What is the molecular formula of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid?
The molecular formula of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid is C27H27FN2O3.
What is the molecular weight of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid?
The molecular weight of 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid is 446.20 g/mol.
Where can I buy 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid?
You can request a quote for 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.