鹵泛群
TL;DR: 鹵泛群 (CAS 69756-53-2) is a chemical compound with molecular formula C26H30Cl2F3NO and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鹵泛群
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
Also Known As: Halofantrine, Halfan, Halofantrina, Halofantrine HCl, Halofantrinum
| Molecular Formula | C26H30Cl2F3NO |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.16565 |
| Heavy Atoms | 33 |
| Complexity | 584.0 |
| Solubility | 1.11e-04 g/L |
Chemical Identifiers
| CAS Number | 69756-53-2 |
|---|---|
| SMILES | CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O |
| InChIKey | FOHHNHSLJDZUGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
鹵泛群 (CAS 69756-53-2), with molecular formula C26H30Cl2F3NO and molecular weight 499.17 g/mol. IUPAC: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol.
Chemical Property Profile of 鹵泛群
Property Insights of 鹵泛群
The XLogP value of 8.6 indicates that 鹵泛群 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 鹵泛群 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 鹵泛群 has 1 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 鹵泛群?
The CAS number of 鹵泛群 is 69756-53-2.
What is the molecular formula of 鹵泛群?
The molecular formula of 鹵泛群 is C26H30Cl2F3NO.
What is the molecular weight of 鹵泛群?
The molecular weight of 鹵泛群 is 499.17 g/mol.
Where can I buy 鹵泛群?
You can request a quote for 鹵泛群 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鹵泛群?
Yes, KEHONG BIO provides custom synthesis services for 鹵泛群 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.