CAS RN: 38954-02-8
4-β-D-Glucopyranosyloxybenzeneethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260213 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS38954-02-8
- Purity/Analytical Methods: >99.0%
38954-02-8 / (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
38954-02-8
Multi CAS
Yes
Molecular Formula
C14H20O7
Molecular Weight
300.300000
Exact Mass
300.120903
InChI
InChI=1S/C14H20O7/c15-6-5-8-1-3-9(4-2-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
OJDSCNUKKOKOQJ-RKQHYHRCSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
71.63
TPSA
119.61
LogP / Solubility
WLOGP
-1.6
MLOGP
-1.4
XLogP3
-0.3
Consensus LogP
-1.1
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-5.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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