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CAS 914223-46-4 3-AMINO-4,4,4-TRIFLUORO-BUTAN-1-OL molecular structure lightbox
CAS RN: 914223-46-4

3-AMINO-4,4,4-TRIFLUORO-BUTAN-1-OL

  • Product code: SSC-204483
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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 914223-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

914223-46-4 / 3-amino-4,4,4-trifluorobutan-1-ol

Standard CAS: 914223-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914223-46-4
Multi CAS
No
Molecular Formula
C4F3H8NO
Molecular Weight
143.110000
Exact Mass
143.055798
InChI
InChI=1S/C4H8F3NO/c5-4(6,7)3(8)1-2-9/h3,9H,1-2,8H2
InChIKey
IUHWBCZMCVRCST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.73
TPSA
46.25

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
0.1
Consensus LogP
0.19
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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