Centphenaquin
TL;DR: Centphenaquin (CAS 98459-16-6) is a chemical compound with molecular formula C24H29Cl2N3 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline;dihydrochloride
Also Known As: Centphenaquin, Centphenaquin dihydrochloride, 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(4-phenyl-1-piperazinyl)-, dihydrochloride, 7,8,9,10-Tetrahydro-11-(4-phenyl-1-piperazinyl)-6H-cyclohepta(b)quinoline dihydrochloride, 11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohept
| Molecular Formula | C24H29Cl2N3 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 5.67 |
| Topological Polar Surface Area | 19.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.17386 |
| Heavy Atoms | 29 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 98459-16-6 |
|---|---|
| SMILES | C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl |
| InChIKey | NCTHSHSIWQKXLV-UHFFFAOYSA-N |
Product Overview
Centphenaquin (CAS 98459-16-6), with molecular formula C24H29Cl2N3 and molecular weight 429.17 g/mol. IUPAC: 11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline;dihydrochloride.
Chemical Property Profile of Centphenaquin
Property Insights of Centphenaquin
The XLogP value of 5.67 indicates that Centphenaquin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, Centphenaquin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Centphenaquin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Centphenaquin?
The CAS number of Centphenaquin is 98459-16-6.
What is the molecular formula of Centphenaquin?
The molecular formula of Centphenaquin is C24H29Cl2N3.
What is the molecular weight of Centphenaquin?
The molecular weight of Centphenaquin is 429.17 g/mol.
Where can I buy Centphenaquin?
You can request a quote for Centphenaquin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centphenaquin?
Yes, KEHONG BIO provides custom synthesis services for Centphenaquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.