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CAS 13992-26-2 1-AZIDO-1-DEOXY-BETA-D-GALACTOPYRANOSIDE TETRAACETATE molecular structure lightbox
CAS RN: 13992-26-2

1-AZIDO-1-DEOXY-BETA-D-GALACTOPYRANOSIDE TETRAACETATE

  • Product code: SSC-050413
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13992-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
5g -- 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

13992-26-2 / [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate

Standard CAS: 13992-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13992-26-2
Multi CAS
No
Molecular Formula
C14H19N3O9
Molecular Weight
373.320000
Exact Mass
373.112129
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)16-17-15/h10-14H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
InChIKey
NHNYHKRWHCWHAJ-MBJXGIAVSA-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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