[email protected]
CAS 420-87-1 Sodium 2,2,2-trifluoroethanolate molecular structure lightbox
CAS RN: 420-87-1

Sodium 2,2,2-trifluoroethanolate

  • Product code: SSC-150321
GET A QUOTE
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: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 420-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

420-87-1 / sodium 2,2,2-trifluoroethanolate

Standard CAS: 420-87-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
420-87-1
Multi CAS
Yes
Molecular Formula
C2H2F3NAO
Molecular Weight
122.020000
Exact Mass
121.995543
InChI
InChI=1S/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChIKey
MSGMXYUAWZYTFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
10.92
TPSA
23.06

LogP / Solubility

WLOGP
-3.09
MLOGP
-2.73
XLogP3
-3.09
Consensus LogP
-2.97
Log S (ESOL)
1.35
Class (ESOL)
Highly soluble
Log S (Ali)
1.67
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.11
Class (SILICOS-IT)
Highly 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)
-5.66

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us