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CAS 684-78-6 N,O-BIS(TRIFLUOROACETYL)HYDROXYLAMINE molecular structure lightbox
CAS RN: 684-78-6

N,O-BIS(TRIFLUOROACETYL)HYDROXYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 1g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-178144
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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: 5g
  • Available purity: ≥98%
  • 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 684-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

684-78-6 / [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate

Standard CAS: 684-78-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
684-78-6
Multi CAS
Yes
Molecular Formula
C4F6HNO3
Molecular Weight
225.050000
Exact Mass
224.986062
InChI
InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)
InChIKey
CYSAMXITKBXZOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
26.34
TPSA
55.4

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
1.9
Consensus LogP
1.07
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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