Desbutylhalofantrine
TL;DR: Desbutylhalofantrine (CAS 69756-48-5) is a chemical compound with molecular formula C22H22Cl2F3NO and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
Also Known As: Desbutylhalofantrine, Dctfmp, Monodesbutylhalofantrine, N-Desbutylhalofantrine, N-debutylhalofantrine
| Molecular Formula | C22H22Cl2F3NO |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10306 |
| Heavy Atoms | 29 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 69756-48-5 |
|---|---|
| SMILES | CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O |
| InChIKey | FYHCHSNOXWVJJT-UHFFFAOYSA-N |
Product Overview
Desbutylhalofantrine (CAS 69756-48-5), with molecular formula C22H22Cl2F3NO and molecular weight 443.10 g/mol. IUPAC: 3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol.
Chemical Property Profile of Desbutylhalofantrine
Property Insights of Desbutylhalofantrine
The XLogP value of 6.9 indicates that Desbutylhalofantrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Desbutylhalofantrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desbutylhalofantrine has 2 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 Desbutylhalofantrine?
The CAS number of Desbutylhalofantrine is 69756-48-5.
What is the molecular formula of Desbutylhalofantrine?
The molecular formula of Desbutylhalofantrine is C22H22Cl2F3NO.
What is the molecular weight of Desbutylhalofantrine?
The molecular weight of Desbutylhalofantrine is 443.10 g/mol.
Where can I buy Desbutylhalofantrine?
You can request a quote for Desbutylhalofantrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desbutylhalofantrine?
Yes, KEHONG BIO provides custom synthesis services for Desbutylhalofantrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.