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CAS 68733-19-7 2-azido-2-deoxy-1,3,4,6-tetraacetate β-D-Galactopyranose molecular structure lightbox
CAS RN: 68733-19-7

2-azido-2-deoxy-1,3,4,6-tetraacetate β-D-Galactopyranose

  • Product code: SSC-178419
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68733-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

68733-19-7 / (3,4,6-triacetyloxy-5-azidooxan-2-yl)methyl acetate

Standard CAS: 68733-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68733-19-7
Multi CAS
Yes
Molecular Formula
C14H19N3O9
Molecular Weight
373.320000
Exact Mass
373.112129
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
QKGHBQJLEHAMKJ-RKQHYHRCSA-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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