CAS RN: 33404-34-1
Cellotriose
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: ICTC2795
- Purity/Analytical Methods: >95.0%(HPLC)
33404-34-1 / 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
33404-34-1
Multi CAS
Yes
Molecular Formula
C18H32O16
Molecular Weight
504.400000
Exact Mass
504.169035
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1
InChIKey
FYGDTMLNYKFZSV-ZWSAEMDYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
16
H-bond donors
11
Molar refractivity
101.25
TPSA
268.68
LogP / Solubility
WLOGP
-7.57
MLOGP
-6.63
XLogP3
-6.9
Consensus LogP
-7.03
Log S (ESOL)
2.27
Class (ESOL)
Highly soluble
Log S (Ali)
1.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.51
Class (SILICOS-IT)
Highly 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)
-11.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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