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CAS 155417-78-0 3-Azido-3-deoxy-D-galactopyranose 1,2,4,6-tetraacetate molecular structure lightbox
CAS RN: 155417-78-0

3-Azido-3-deoxy-D-galactopyranose 1,2,4,6-tetraacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS155417-78-0
  • Purity/Analytical Methods: >99.0%
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155417-78-0 / (3,5,6-triacetyloxy-4-azidooxan-2-yl)methyl acetate

Standard CAS: 155417-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155417-78-0
Multi CAS
No
Molecular Formula
C14H19N3O9
Molecular Weight
373.320000
Exact Mass
373.112129
SMILES
CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)11(16-17-15)13(24-8(3)20)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3
InChIKey
LJICGUPPWNZTFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
81.1
TPSA
163.19

LogP / Solubility

WLOGP
0.38
MLOGP
0.36
XLogP3
0.7
Consensus LogP
0.48
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-4.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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