CAS RN: 58066-85-6
Miltefosine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250602 | 1ml | In stock | Inquiry |
- Product code: ICTM2445
- Purity/Analytical Methods: >98.0%(T)(HPLC)
58066-85-6 / hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
58066-85-6
Multi CAS
Yes
Molecular Formula
C21H46NO4P
Molecular Weight
407.600000
Exact Mass
407.316446
InChI
InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
InChIKey
PQLXHQMOHUQAKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
112.72
TPSA
58.59
LogP / Solubility
WLOGP
5.68
MLOGP
5.02
XLogP3
6.7
Consensus LogP
5.8
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
