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CAS 137766-83-7 Ac4GlcNAcF3 molecular structure lightbox
CAS RN: 137766-83-7

Ac4GlcNAcF3

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-047411
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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 137766-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

137766-83-7 / [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate

Standard CAS: 137766-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137766-83-7
Multi CAS
No
Molecular Formula
C16H20F3NO10
Molecular Weight
443.330000
Exact Mass
443.103930
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H20F3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11-,12-,13-,14?/m1/s1
InChIKey
XSSGVGGOUZKLAR-GNMOMJPPSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
86.15
TPSA
143.53

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.19
XLogP3
1.2
Consensus LogP
0.25
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-5.6

Drug-likeness / Medicinal Chemistry

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

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