CAS RN: 42891-16-7
N-OCTYL-BETA-D-THIOGALACTOPYRANOSIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42891-16-7
- Purity/Analytical Methods: >99.0%
42891-16-7 / 2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Basic Information
CAS
42891-16-7
Multi CAS
Yes
Molecular Formula
C14H28O5S
Molecular Weight
308.440000
Exact Mass
308.165745
InChI
InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3
InChIKey
CGVLVOOFCGWBCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
79.6
TPSA
90.15
LogP / Solubility
WLOGP
0.88
MLOGP
0.79
XLogP3
2.2
Consensus LogP
1.29
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
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)
-3.98
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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