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CAS 35373-68-3 2-amino-3-(3-fluorophenyl)propan-1-ol molecular structure lightbox
CAS RN: 35373-68-3

2-amino-3-(3-fluorophenyl)propan-1-ol

  • Product code: SSC-142365
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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: ＞97%
  • 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 35373-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

35373-68-3 / 2-amino-3-(3-fluorophenyl)propan-1-ol

Standard CAS: 35373-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35373-68-3
Multi CAS
No
Molecular Formula
C9FH12NO
Molecular Weight
169.200000
Exact Mass
169.090292
InChI
InChI=1S/C9H12FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
InChIKey
ZALRUTRFOXROOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.17
TPSA
46.25

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.44
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)
-3.26

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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