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CAS 1311315-33-9 2-AMINO-2-(4-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE molecular structure lightbox
CAS RN: 1311315-33-9

2-AMINO-2-(4-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE

  • Product code: SSC-037827
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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 1311315-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1311315-33-9 / 2-amino-2-(4-fluorophenyl)ethanol;hydrochloride

Standard CAS: 1311315-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1311315-33-9
Multi CAS
No
Molecular Formula
C8H11ClFNO
Molecular Weight
191.630000
Exact Mass
191.051320
SMILES
C1=CC(=CC=C1C(CO)N)F.Cl
InChI
InChI=1S/C8H10FNO.ClH/c9-7-3-1-6(2-4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H
InChIKey
XDUGHEJDMDUTSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.66
TPSA
46.25

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-3.01

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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