CAS RN: 35997-20-7

Isomaltotetraose

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3 package records1 with current stock3 grade groups
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Batchno.20250818 1ml Out of stock 8-10 business days Inquiry
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  • Product code: ICTI0855
  • Purity/Analytical Methods: >95.0%(HPLC)
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35997-20-7 / (2R,3S,4R,5R)-5,6-dihydroxy-2,3,4-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal

Standard CAS: 35997-20-7 Multi CAS: Yes

Basic Information

CAS
35997-20-7
Multi CAS
Yes
Molecular Formula
C24H42O21
Molecular Weight
666.600000
Exact Mass
666.221858
InChI
InChI=1S/C24H42O21/c25-1-6(30)20(44-23-18(38)15(35)12(32)8(3-27)41-23)21(45-24-19(39)16(36)13(33)9(4-28)42-24)10(5-29)43-22-17(37)14(34)11(31)7(2-26)40-22/h5-28,30-39H,1-4H2/t6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
InChIKey
MUIAGSYGABVSAA-KBLAXFPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.96
Rotatable bonds
14
H-bond acceptors
21
H-bond donors
14
Molar refractivity
135.08
TPSA
355.67

LogP / Solubility

WLOGP
-9.91
MLOGP
-8.66
XLogP3
-8.2
Consensus LogP
-8.92
Log S (ESOL)
3.19
Class (ESOL)
Highly soluble
Log S (Ali)
2.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.55
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)
-13.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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