CAS RN: 78574-35-3
2,3:4,5-Di-O-isopropylidene-1-O-p-toluenesulfonyl-β-D-fructopyranose
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.20260423 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: ICTD5395
78574-35-3 / [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl 4-methylbenzenesulfonate
Basic Information
CAS
78574-35-3
Multi CAS
No
Molecular Formula
C19H26O8S
Molecular Weight
414.500000
Exact Mass
414.134839
InChI
InChI=1S/C19H26O8S/c1-12-6-8-13(9-7-12)28(20,21)23-11-19-16(26-18(4,5)27-19)15-14(10-22-19)24-17(2,3)25-15/h6-9,14-16H,10-11H2,1-5H3/t14-,15-,16+,19+/m1/s1
InChIKey
PVHNZFDIDDKWNH-JEWRLFTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
96.86
TPSA
89.52
LogP / Solubility
WLOGP
2.1
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly 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)
-3.76
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
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