CAS RN: 18375-62-7
N-decyl-D-gluconamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS18375-62-7
- Purity/Analytical Methods: >99.0%
18375-62-7 / (2R,3S,4R,5R)-N-decyl-2,3,4,5,6-pentahydroxyhexanamide
Basic Information
CAS
18375-62-7
Multi CAS
No
Molecular Formula
C16H33NO6
Molecular Weight
335.440000
Exact Mass
335.230788
SMILES
CCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C16H33NO6/c1-2-3-4-5-6-7-8-9-10-17-16(23)15(22)14(21)13(20)12(19)11-18/h12-15,18-22H,2-11H2,1H3,(H,17,23)/t12-,13-,14+,15-/m1/s1
InChIKey
REISOHCMNXKYLD-APIJFGDWSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
6
Molar refractivity
86.73
TPSA
130.25
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.27
XLogP3
0.9
Consensus LogP
0.1
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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