RefChem:372698
TL;DR: RefChem:372698 (CAS 51941-02-7) is a chemical compound with molecular formula C29H28Cl3F3N4O3 and molecular weight 642.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate;dihydrochloride
Also Known As: Piperazineethanol, 4-(3-chlorophenyl)-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride, 4-(3-Chlorophenyl)piperazineethanol N-(7-trifluoromethoxy-4-quinolyl)anthranilate 2HCl, 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate dihydrochloride, 2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{[7-(trifluoromethoxy)quinolin-4-yl]amino}benzoate--hydrogen chloride (1/2), Benzoic acid, 2-[[7-(trifluoromethoxy)-4-quinolinyl]amino]-, 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester, dihydrochloride
| Molecular Formula | C29H28Cl3F3N4O3 |
|---|---|
| Molecular Weight | 642.12 g/mol |
| LogP | 7.353 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 642.1179 |
| Heavy Atoms | 42 |
| Complexity | 1501.9664 |
Chemical Identifiers
| CAS Number | 51941-02-7 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)OC(F)(F)F)C5=CC(=CC=C5)Cl.Cl.Cl |
Product Overview
RefChem:372698 (CAS 51941-02-7), with molecular formula C29H28Cl3F3N4O3 and molecular weight 642.12 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate;dihydrochloride.
Chemical Property Profile of RefChem:372698
Property Insights of RefChem:372698
The XLogP value of 7.353 indicates that RefChem:372698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372698. Following Lipinski's Rule of Five, RefChem:372698 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372698?
The CAS number of RefChem:372698 is 51941-02-7.
What is the molecular formula of RefChem:372698?
The molecular formula of RefChem:372698 is C29H28Cl3F3N4O3.
What is the molecular weight of RefChem:372698?
The molecular weight of RefChem:372698 is 642.12 g/mol.
Where can I buy RefChem:372698?
You can request a quote for RefChem:372698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.