CAS RN: 799268-59-0
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1′-Myo-inositol-4′,5′-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.20251221 | 0.1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799268-59-0
- Purity/Analytical Methods: >99.0%
799268-59-0 / azane;[1-[hydroxy-(2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl)oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] icosa-5,8,11,14-tetraenoate
Basic Information
CAS
799268-59-0
Multi CAS
Yes
Molecular Formula
C47H88NO19P3
Molecular Weight
1064.100000
Exact Mass
1063.516341
InChI
InChI=1S/C47H85O19P3.H3N/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);1H3
InChIKey
MDNBPTGUKOPWCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Fraction Csp3
0.79
Rotatable bonds
42
H-bond acceptors
15
H-bond donors
9
Molar refractivity
266.32
TPSA
337.57
LogP / Solubility
WLOGP
9.56
MLOGP
8.52
XLogP3
9.56
Consensus LogP
9.21
Log S (ESOL)
-9.69
Class (ESOL)
Insoluble
Log S (Ali)
-15.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.56
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)
-2.42
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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