CAS RN: 85316-98-9
MEGA-8
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS85316-98-9
- Purity/Analytical Methods: >99.0%
85316-98-9 / N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
Basic Information
CAS
85316-98-9
Multi CAS
Yes
Molecular Formula
C15H31NO6
Molecular Weight
321.410000
Exact Mass
321.215138
InChI
InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1
InChIKey
SBWGZAXBCCNRTM-CTHBEMJXSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
5
Molar refractivity
82.13
TPSA
121.46
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.65
XLogP3
-0.4
Consensus LogP
-0.6
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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