CAS RN: 40427-75-6
N-OCTYL-BETA-D-GLUCOPYRANOSIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS40427-75-6
- Purity/Analytical Methods: >99.0%
40427-75-6 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Basic Information
CAS
40427-75-6
Multi CAS
Yes
Molecular Formula
C14H28O6
Molecular Weight
292.370000
Exact Mass
292.188589
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKey
HEGSGKPQLMEBJL-MBJXGIAVSA-N
Physical Properties
Physical Description
White solid; [Merck Index] White to off-white hygroscopic powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
73.1
TPSA
99.38
LogP / Solubility
WLOGP
0.16
MLOGP
0.15
XLogP3
1.4
Consensus LogP
0.57
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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