CAS RN: 899827-36-2
PtdIns-(1,2-dioctanoyl) (sodium salt)
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.20251127 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS899827-36-2
- Purity/Analytical Methods: >99.0%
899827-36-2 / sodium [(2R)-2,3-di(octanoyloxy)propyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Basic Information
CAS
899827-36-2
Multi CAS
Yes
Molecular Formula
C25H46NAO13P
Molecular Weight
608.600000
Exact Mass
608.257373
InChI
InChI=1S/C25H47O13P.Na/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32;/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34);/q;+1/p-1/t17-,20?,21-,22+,23-,24-,25?;/m1./s1
InChIKey
VNDIWCAFXLOVPN-JZAJJPDXSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.92
Rotatable bonds
20
H-bond acceptors
13
H-bond donors
5
Molar refractivity
136.06
TPSA
212.34
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.84
XLogP3
-2.15
Consensus LogP
-2.05
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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