CAS RN: 475995-51-8
L-α-phosphatidylinositol-4-phosphate (Brain, Porcine) (aMMoniuM Salt)
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS475995-51-8
- Purity/Analytical Methods: >99.0%
475995-51-8 / diazanium;[(2S)-2,3,5,6-tetrahydroxy-4-[[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate
Basic Information
CAS
475995-51-8
Multi CAS
Yes
Molecular Formula
C47H90N2O16P2
Molecular Weight
1001.200000
Exact Mass
1000.576559
InChI
InChI=1S/C47H84O16P2.2H3N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56;;/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56);2*1H3/b13-11-,19-17-,24-22-,30-28-;;/t39-,42+,43?,44?,45?,46?,47?;;/m1../s1
InChIKey
HJHASIMOAXACIC-NGEHOCKISA-N
Computed Properties
Structural Parameters
Heavy atom count
67
Fraction Csp3
0.79
Rotatable bonds
40
H-bond acceptors
15
H-bond donors
7
Molar refractivity
257.92
TPSA
334.7
LogP / Solubility
WLOGP
8.77
MLOGP
7.82
XLogP3
8.77
Consensus LogP
8.45
Log S (ESOL)
-8.94
Class (ESOL)
Insoluble
Log S (Ali)
-14.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.25
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
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
7.5
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