CAS RN: 383907-42-4
L-α-phosphatidylinositol-4,5-bisphosphate (Brain, Porcine) (aMMoniuM salt)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS383907-42-4
- Purity/Analytical Methods: >99.0%
383907-42-4 / triazanium;[(2S,4R)-2,3,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4-[[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate
Basic Information
CAS
383907-42-4
Multi CAS
Yes
Molecular Formula
C47H94N3O19P3
Molecular Weight
1098.200000
Exact Mass
1097.569439
InChI
InChI=1S/C47H85O19P3.3H3N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58;;;/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58);3*1H3/b13-11-,19-17-,24-22-,30-28-;;;/t39-,42?,43+,44?,45-,46?,47?;;;/m1.../s1
InChIKey
GAIOWTITBYPFJE-JVILRMJCSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Fraction Csp3
0.79
Rotatable bonds
42
H-bond acceptors
17
H-bond donors
8
Molar refractivity
272.59
TPSA
420.56
LogP / Solubility
WLOGP
8.64
MLOGP
7.71
XLogP3
8.64
Consensus LogP
8.33
Log S (ESOL)
-9.32
Class (ESOL)
Insoluble
Log S (Ali)
-14.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.01
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)
-3.29
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
9
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