CAS RN: 35405-71-1

1,6-Anhydro-b-D-cellobiose

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Batchno.20250215 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35405-71-1
  • Purity/Analytical Methods: >99.0%
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35405-71-1 / 2-[(3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 35405-71-1 Multi CAS: Yes

Basic Information

CAS
35405-71-1
Multi CAS
Yes
Molecular Formula
C12H20O10
Molecular Weight
324.280000
Exact Mass
324.105647
InChI
InChI=1S/C12H20O10/c13-1-3-5(14)6(15)8(17)12(20-3)22-10-4-2-19-11(21-4)9(18)7(10)16/h3-18H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
LTYZUJSCZCPGHH-QRZGKKJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
65.27
TPSA
158.3

LogP / Solubility

WLOGP
-4.35
MLOGP
-3.81
XLogP3
-3.7
Consensus LogP
-3.95
Log S (ESOL)
1.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.92
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.48
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-7.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9.5

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