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CAS 157716-52-4 Perifosine molecular structure lightbox
CAS RN: 157716-52-4

Perifosine

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11 package records10 with current stock3 grade groups
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Batchno.20260108 100mg In stock Shanghai Inquiry
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Batchno.20251129 10mg In stock Inquiry
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Batchno.20250716 1ml In stock Inquiry
  • Product code: ICTP2831
  • Purity/Analytical Methods: >98.0%(HPLC)
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157716-52-4 / (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate

Standard CAS: 157716-52-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
157716-52-4
Multi CAS
No
Molecular Formula
C25H52NO4P
Molecular Weight
461.700000
Exact Mass
461.363396
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C
InChI
InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
InChIKey
SZFPYBIJACMNJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
129.05
TPSA
58.59

LogP / Solubility

WLOGP
6.99
MLOGP
6.18
XLogP3
8.3
Consensus LogP
7.16
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.86
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)
-0.57

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (81.8%): May damage fertility or the unborn child [Danger Reproductive toxicity] H362 (90.9%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H372 (90.9%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P263, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P405, and P501

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