CAS RN: 56193-44-3
o-Nitrophenyl-α-D-glucopyranoside
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.20251115 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56193-44-3
- Purity/Analytical Methods: >99.0%
56193-44-3 / 2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
Basic Information
CAS
56193-44-3
Multi CAS
Yes
Molecular Formula
C12H15NO8
Molecular Weight
301.250000
Exact Mass
301.079766
InChI
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChIKey
KUWPCJHYPSUOFW-ZIQFBCGOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
67.49
TPSA
142.52
LogP / Solubility
WLOGP
-1.23
MLOGP
-1.07
XLogP3
-1.2
Consensus LogP
-1.17
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-5.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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