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CAS 92052-29-4 2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl 2,2,2-Trichloroacetimidate molecular structure lightbox
CAS RN: 92052-29-4

2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl 2,2,2-Trichloroacetimidate

  • Product code: SSC-205641
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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 92052-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

92052-29-4 / [3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Standard CAS: 92052-29-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92052-29-4
Multi CAS
Yes
Molecular Formula
C16H20CL3NO10
Molecular Weight
492.700000
Exact Mass
491.015279
InChI
InChI=1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3
InChIKey
IBUZGVQIKARDAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
1
Molar refractivity
101.06
TPSA
147.51

LogP / Solubility

WLOGP
1.43
MLOGP
1.3
XLogP3
2.6
Consensus LogP
1.78
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

Drug-likeness / Medicinal Chemistry

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

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