CAS RN: 69756-53-2
HALOFANTRINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS69756-53-2
- Purity/Analytical Methods: >99.0%
69756-53-2 / 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
Basic Information
CAS
69756-53-2
Multi CAS
Yes
Molecular Formula
C26H30CL2F3NO
Molecular Weight
500.400000
Exact Mass
499.165655
InChI
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
InChIKey
FOHHNHSLJDZUGQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
14
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
132.31
TPSA
23.47
LogP / Solubility
WLOGP
8.64
MLOGP
7.64
XLogP3
8.6
Consensus LogP
8.29
Log S (ESOL)
-8.04
Class (ESOL)
Insoluble
Log S (Ali)
-9.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.36
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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