CAS RN: 82494-08-4
N-octylβ-D-maltoside
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250907 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: LINN887312
82494-08-4 / (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-octoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
82494-08-4
Multi CAS
Yes
Molecular Formula
C20H38O11
Molecular Weight
454.500000
Exact Mass
454.241412
InChI
InChI=1S/C20H38O11/c1-2-3-4-5-6-7-8-28-19-17(27)15(25)18(12(10-22)30-19)31-20-16(26)14(24)13(23)11(9-21)29-20/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
InChIKey
MASIZQYHVMQQKI-OIIXUNCGSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
11
H-bond donors
7
Molar refractivity
105.73
TPSA
178.53
LogP / Solubility
WLOGP
-2.01
MLOGP
-1.74
XLogP3
-0.8
Consensus LogP
-1.52
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.92
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
7.5
