CAS RN: 943022-11-5
thio-Miltefosine
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.20260324 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS943022-11-5
- Purity/Analytical Methods: >99.0%
943022-11-5 / hexadecylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate
Basic Information
CAS
943022-11-5
Multi CAS
No
Molecular Formula
C21H46NO3PS
Molecular Weight
423.600000
Exact Mass
423.293603
InChI
InChI=1S/C21H46NO3PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-26(23,24)25-20-19-22(2,3)4/h5-21H2,1-4H3
InChIKey
GNVIGESUZAZBPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
119.23
TPSA
49.36
LogP / Solubility
WLOGP
6.39
MLOGP
5.65
XLogP3
7.1
Consensus LogP
6.38
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
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)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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