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CAS 52443-07-9 2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL CYANIDE molecular structure lightbox
CAS RN: 52443-07-9

2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL CYANIDE

  • Product code: SSC-159550
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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: ≥95%
  • 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 52443-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52443-07-9 / (3,4,5-triacetyloxy-6-cyanooxan-2-yl)methyl acetate

Standard CAS: 52443-07-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52443-07-9
Multi CAS
Yes
Molecular Formula
C15H19NO9
Molecular Weight
357.310000
Exact Mass
357.105981
InChI
InChI=1S/C15H19NO9/c1-7(17)21-6-12-14(23-9(3)19)15(24-10(4)20)13(22-8(2)18)11(5-16)25-12/h11-15H,6H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1
InChIKey
URSBDPDTERVBDN-AIEDFZFUSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
10
Molar refractivity
77.57
TPSA
138.22

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.3
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-5.16

Drug-likeness / Medicinal Chemistry

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

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