CAS RN: 67412-74-2
(2S,3R,4S,5R,6R)-2-(((3R,4R,5R,6R)-6-(benzyloxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(WXC01577)
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.20260322 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67412-74-2
- Purity/Analytical Methods: >99.0%
67412-74-2 / (2S,3R,4S,5R,6R)-2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
67412-74-2
Multi CAS
Yes
Molecular Formula
C18H26O10
Molecular Weight
402.400000
Exact Mass
402.152597
InChI
InChI=1S/C18H26O10/c19-6-10-12(20)14(22)16(24)18(27-10)28-11-8-26-17(15(23)13(11)21)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13+,14+,15-,16-,17-,18+/m1/s1
InChIKey
SKUMUKAMXQEGMM-FNAHJEAMSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
6
Molar refractivity
91.62
TPSA
158.3
LogP / Solubility
WLOGP
-2.53
MLOGP
-2.21
XLogP3
-2.2
Consensus LogP
-2.31
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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