CAS RN: 69266-16-6

BETA-LACTOSYL AZIDE

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  • Product code: starshine_CAS69266-16-6
  • Purity/Analytical Methods: >99.0%
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69266-16-6 / (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 69266-16-6 Multi CAS: Yes

Basic Information

CAS
69266-16-6
Multi CAS
Yes
Molecular Formula
C12H21N3O10
Molecular Weight
367.310000
Exact Mass
367.122694
InChI
InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
FJOYNMRZUBUGGP-DCSYEGIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
7
Molar refractivity
75.55
TPSA
218.06

LogP / Solubility

WLOGP
-4.08
MLOGP
-3.57
XLogP3
-3.2
Consensus LogP
-3.62
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
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)
-7.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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