CAS RN: 26276-99-3
1,4,5,6-Tetra-O-benzyl-myo-inositol
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.20251001 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26276-99-3
- Purity/Analytical Methods: >99.0%
26276-99-3 / (1S,2R,3S,4R,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
Basic Information
CAS
26276-99-3
Multi CAS
No
Molecular Formula
C34H36O6
Molecular Weight
540.600000
Exact Mass
540.251189
SMILES
C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O
InChI
InChI=1S/C34H36O6/c35-29-30(36)32(38-22-26-15-7-2-8-16-26)34(40-24-28-19-11-4-12-20-28)33(39-23-27-17-9-3-10-18-27)31(29)37-21-25-13-5-1-6-14-25/h1-20,29-36H,21-24H2/t29-,30+,31-,32-,33+,34+/m0/s1
InChIKey
VQNWAWRYJQHLAV-LMEWNJKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
2
Molar refractivity
152.09
TPSA
77.38
LogP / Solubility
WLOGP
5.06
MLOGP
4.5
XLogP3
4.4
Consensus LogP
4.65
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
8
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