CAS RN: 18449-82-6
N-tetradecy β-D-maltoside
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: LINN887313
18449-82-6 / (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-tetradecoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
18449-82-6
Multi CAS
No
Molecular Formula
C26H50O11
Molecular Weight
538.700000
Exact Mass
538.335312
SMILES
CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
InChIKey
UKPROSIGWJBJGA-IWODYCRQSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
11
H-bond donors
7
Molar refractivity
133.43
TPSA
178.53
LogP / Solubility
WLOGP
0.33
MLOGP
0.33
XLogP3
2.5
Consensus LogP
1.05
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly 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)
-5.77
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
9
