CAS RN: 799268-54-5
1,2-dioleoyl-sn-glycero-3-phospho-(1′-Myo-inositol-3′,4′-bisphosphate) (aMMoniuM 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.20251225 | 100μg / 500μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799268-54-5
- Purity/Analytical Methods: >99.0%
799268-54-5 / azane;[3-[hydroxy-(2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl)oxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate
Basic Information
CAS
799268-54-5
Multi CAS
Yes
Molecular Formula
C45H88NO19P3
Molecular Weight
1040.100000
Exact Mass
1039.516341
InChI
InChI=1S/C45H85O19P3.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56;/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56);1H3
InChIKey
FWDOQVLMXPDBBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Fraction Csp3
0.87
Rotatable bonds
42
H-bond acceptors
15
H-bond donors
9
Molar refractivity
257.27
TPSA
337.57
LogP / Solubility
WLOGP
9.23
MLOGP
8.23
XLogP3
9.23
Consensus LogP
8.9
Log S (ESOL)
-9.33
Class (ESOL)
Insoluble
Log S (Ali)
-14.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
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
8
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