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CAS 66966-08-3 2,3,4,6-tetra-O-acetyl-β-D-chloroglucose molecular structure lightbox
CAS RN: 66966-08-3

2,3,4,6-tetra-O-acetyl-β-D-chloroglucose

  • Product code: SSC-176612
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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, 5g, 10g
  • 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 66966-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

66966-08-3 / (3,4,5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate

Standard CAS: 66966-08-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66966-08-3
Multi CAS
Yes
Molecular Formula
C14H19CLO9
Molecular Weight
366.750000
Exact Mass
366.071760
InChI
InChI=1S/C14H19ClO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3
InChIKey
BYWPSIUIJNAJDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
77.81
TPSA
114.43

LogP / Solubility

WLOGP
0.31
MLOGP
0.29
XLogP3
1.3
Consensus LogP
0.63
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.74

Drug-likeness / Medicinal Chemistry

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

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