CAS RN: 1246303-09-2
1,2-dioleoyl-sn-glycero-3-phospho-(1′-Myo-inositol-3′-phosphate) (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.20250122 | 500μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246303-09-2
- Purity/Analytical Methods: >99.0%
1246303-09-2 / azane;[(2R)-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Basic Information
CAS
1246303-09-2
Multi CAS
No
Molecular Formula
C45H87NO16P2
Molecular Weight
960.100000
Exact Mass
959.550010
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.N
InChI
InChI=1S/C45H84O16P2.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54;/h17-20,37,40-45,48-51H,3-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54);1H3/b19-17-,20-18-;/t37-,40+,41+,42-,43-,44-,45+;/m1./s1
InChIKey
UYACTCSMQAUSKB-LNLPYNTRSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Fraction Csp3
0.87
Rotatable bonds
40
H-bond acceptors
14
H-bond donors
8
Molar refractivity
246.36
TPSA
291.04
LogP / Solubility
WLOGP
9.12
MLOGP
8.11
XLogP3
9.12
Consensus LogP
8.78
Log S (ESOL)
-8.9
Class (ESOL)
Insoluble
Log S (Ali)
-14.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.27
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)
-2.1
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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