CAS RN: 800376-82-3
Phenylethylb-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.20250823 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS800376-82-3
- Purity/Analytical Methods: >99.0%
800376-82-3 / (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-phenylethylsulfanyl)oxane-3,4,5-triol
Basic Information
CAS
800376-82-3
Multi CAS
Yes
Molecular Formula
C14H20O5S
Molecular Weight
300.370000
Exact Mass
300.103145
InChI
InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1
InChIKey
ZNAMMSOYKPMPGC-HTOAHKCRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.37
TPSA
90.15
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.2
XLogP3
0.7
Consensus LogP
0.09
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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