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CAS 78542-46-8 3-amino-2-fluoropropan-1-ol molecular structure lightbox
CAS RN: 78542-46-8

3-amino-2-fluoropropan-1-ol

  • Product code: SSC-187915
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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 78542-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

78542-46-8 / 3-amino-2-fluoropropan-1-ol

Standard CAS: 78542-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78542-46-8
Multi CAS
No
Molecular Formula
C3FH8NO
Molecular Weight
93.100000
Exact Mass
93.058992
InChI
InChI=1S/C3H8FNO/c4-3(1-5)2-6/h3,6H,1-2,5H2
InChIKey
DTXCSCJRPZOOAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.04
TPSA
46.25

LogP / Solubility

WLOGP
-0.72
MLOGP
-0.65
XLogP3
-1
Consensus LogP
-0.79
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.8

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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