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CAS 1973503-47-7 2-aMino-2-(6-fluoropyridin-2-yl)ethanol hydrochloride molecular structure lightbox
CAS RN: 1973503-47-7

2-aMino-2-(6-fluoropyridin-2-yl)ethanol hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1973503-47-7
  • Purity/Analytical Methods: >99.0%
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1973503-47-7 / 2-amino-2-(6-fluoro-2-pyridinyl)ethanol;hydrochloride

Standard CAS: 1973503-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1973503-47-7
Multi CAS
No
Molecular Formula
C7H10ClFN2O
Molecular Weight
192.620000
Exact Mass
192.046569
SMILES
C1=CC(=NC(=C1)F)C(CO)N.Cl
InChI
InChI=1S/C7H9FN2O.ClH/c8-7-3-1-2-6(10-7)5(9)4-11;/h1-3,5,11H,4,9H2;1H
InChIKey
WQGQOSBNVRPDDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.46
TPSA
59.14

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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