Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-65-9) is a chemical compound with molecular formula C29H31Cl3N4O2 and molecular weight 572.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride
Also Known As: Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride, 1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloroquinolin-4-yl)amino]benzoate Dihydrochloride, 1-(4-Phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/2), RefChem:326676
| Molecular Formula | C29H31Cl3N4O2 |
|---|---|
| Molecular Weight | 572.15 g/mol |
| LogP | 6.8429 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.15125 |
| Heavy Atoms | 38 |
| Complexity | 1348.2521 |
Chemical Identifiers
| CAS Number | 69838-65-9 |
|---|---|
| SMILES | CC(CN1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NC4=C5C=CC(=CC5=NC=C4)Cl.Cl.Cl |
Product Overview
Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-65-9), with molecular formula C29H31Cl3N4O2 and molecular weight 572.15 g/mol. IUPAC: 1-(4-phenylpiperazin-1-yl)propan-2-yl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride.
Chemical Property Profile of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 6.8429 indicates that Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is 69838-65-9.
What is the molecular formula of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is C29H31Cl3N4O2.
What is the molecular weight of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is 572.15 g/mol.
Where can I buy Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 1-methyl-2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.