CAS RN: 54325-28-9
(2S,3R,4S,5S,6R)-6-((Trityloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
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.20260507 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS898052
54325-28-9 / (2S,3R,4S,5S,6R)-6-(trityloxymethyl)oxane-2,3,4,5-tetrol
Basic Information
CAS
54325-28-9
Multi CAS
Yes
Molecular Formula
C25H26O6
Molecular Weight
422.500000
Exact Mass
422.172939
InChI
InChI=1S/C25H26O6/c26-21-20(31-24(29)23(28)22(21)27)16-30-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,26-29H,16H2/t20-,21-,22+,23-,24+/m1/s1
InChIKey
WMNZCEKHTHLIRQ-SJSRKZJXSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
114.06
TPSA
99.38
LogP / Solubility
WLOGP
1.8
MLOGP
1.61
XLogP3
2.1
Consensus LogP
1.84
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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