CAS RN: 1246298-13-4
1-oleoyl-2-hydroxy-sn-glycero-3-phospho-(1′-Myo-inositol) (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.20250915 | 100μg / 500μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246298-13-4
- Purity/Analytical Methods: >99.0%
1246298-13-4 / azane;[(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
Basic Information
CAS
1246298-13-4
Multi CAS
No
Molecular Formula
C27H54NO12P
Molecular Weight
615.700000
Exact Mass
615.338363
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O.N
InChI
InChI=1S/C27H51O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34;/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36);1H3/b10-9-;/t20-,22?,23-,24+,25-,26-,27?;/m1./s1
InChIKey
QQBVWSNCJVSVJI-GYASMODCSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.89
Rotatable bonds
22
H-bond acceptors
12
H-bond donors
8
Molar refractivity
152.12
TPSA
238.44
LogP / Solubility
WLOGP
2.41
MLOGP
2.17
XLogP3
2.41
Consensus LogP
2.33
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
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
No
Log Kp (skin permeation)
-4.76
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
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