Difluanine Hydrochloride
TL;DR: Difluanine Hydrochloride (CAS 6337-70-8) is a chemical compound with molecular formula C28H36Cl3F2N3 and molecular weight 557.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline;trihydrochloride
Also Known As: Difluanine hydrochloride, Difluanine HCl, Difluanine trihydrochloride, McN-JR 7242-11, Difluanine hydrochloride [USAN]
| Molecular Formula | C28H36Cl3F2N3 |
|---|---|
| Molecular Weight | 557.19 g/mol |
| LogP | 6.872 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 557.1943 |
| Heavy Atoms | 36 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 6337-70-8 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCNC4=CC=CC=C4.Cl.Cl.Cl |
| InChIKey | PHAWDSYIEOZYEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difluanine Hydrochloride (CAS 6337-70-8), with molecular formula C28H36Cl3F2N3 and molecular weight 557.19 g/mol. IUPAC: N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline;trihydrochloride.
Chemical Property Profile of Difluanine Hydrochloride
Property Insights of Difluanine Hydrochloride
The XLogP value of 6.872 indicates that Difluanine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Difluanine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluanine Hydrochloride has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difluanine Hydrochloride?
The CAS number of Difluanine Hydrochloride is 6337-70-8.
What is the molecular formula of Difluanine Hydrochloride?
The molecular formula of Difluanine Hydrochloride is C28H36Cl3F2N3.
What is the molecular weight of Difluanine Hydrochloride?
The molecular weight of Difluanine Hydrochloride is 557.19 g/mol.
Where can I buy Difluanine Hydrochloride?
You can request a quote for Difluanine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluanine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Difluanine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.