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CAS 83025-11-0 (2R,3R,4R,5R,6S)-2-(acetoxymethyl)-5-azido-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate(WXC08710) molecular structure lightbox
CAS RN: 83025-11-0

(2R,3R,4R,5R,6S)-2-(acetoxymethyl)-5-azido-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate(WXC08710)

  • Product code: SSC-191019
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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 83025-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

83025-11-0 / [(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate

Standard CAS: 83025-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83025-11-0
Multi CAS
Yes
Molecular Formula
C14H17CL3N4O8
Molecular Weight
475.700000
Exact Mass
474.011197
InChI
InChI=1S/C14H17Cl3N4O8/c1-5(22)25-4-8-10(26-6(2)23)11(27-7(3)24)9(20-21-19)12(28-8)29-13(18)14(15,16)17/h8-12,18H,4H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
InChIKey
NXSDPOSAOAWHFZ-ZIQFBCGOSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
98.44
TPSA
169.97

LogP / Solubility

WLOGP
2.18
MLOGP
1.95
XLogP3
2.7
Consensus LogP
2.28
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-4.07

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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