CAS RN: 2818-58-8
Phenyl β-D-Galactopyranoside
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251106 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTP1326
- Purity/Analytical Methods: >98.0%(HPLC)
2818-58-8 / (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
Basic Information
CAS
2818-58-8
Multi CAS
Yes
Molecular Formula
C12H16O6
Molecular Weight
256.250000
Exact Mass
256.094688
InChI
InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
InChIKey
NEZJDVYDSZTRFS-YBXAARCKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
60.84
TPSA
99.38
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.99
XLogP3
-0.9
Consensus LogP
-1.01
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
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)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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