RefChem:372707
TL;DR: RefChem:372707 (CAS 51941-00-5) is a chemical compound with molecular formula C29H29Cl2F3N4O3 and molecular weight 608.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate;dihydrochloride
Also Known As: Piperazineethanol, 4-phenyl-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride, 4-Phenylpiperazineethanol o-(7-trifluoromethoxy-4-quinolylamino)benzoate dihydrochloride, 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate dihydrochloride, 2-(4-Phenylpiperazin-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-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
| Molecular Formula | C29H29Cl2F3N4O3 |
|---|---|
| Molecular Weight | 608.16 g/mol |
| LogP | 6.6996 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.15686 |
| Heavy Atoms | 41 |
| Complexity | 1436.0154 |
Chemical Identifiers
| CAS Number | 51941-00-5 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)OC(F)(F)F)C5=CC=CC=C5.Cl.Cl |
Product Overview
RefChem:372707 (CAS 51941-00-5), with molecular formula C29H29Cl2F3N4O3 and molecular weight 608.16 g/mol. IUPAC: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate;dihydrochloride.
Chemical Property Profile of RefChem:372707
Property Insights of RefChem:372707
The XLogP value of 6.6996 indicates that RefChem:372707 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:372707. Following Lipinski's Rule of Five, RefChem:372707 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:372707?
The CAS number of RefChem:372707 is 51941-00-5.
What is the molecular formula of RefChem:372707?
The molecular formula of RefChem:372707 is C29H29Cl2F3N4O3.
What is the molecular weight of RefChem:372707?
The molecular weight of RefChem:372707 is 608.16 g/mol.
Where can I buy RefChem:372707?
You can request a quote for RefChem:372707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372707?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.