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CAS 1956436-47-7 (S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride molecular structure lightbox
CAS RN: 1956436-47-7

(S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1956436-47-7
  • Purity/Analytical Methods: >99.0%
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1956436-47-7 / (1S)-1-(5-fluoro-3-pyridinyl)ethanamine;hydrochloride

Standard CAS: 1956436-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956436-47-7
Multi CAS
No
Molecular Formula
C7H10ClFN2
Molecular Weight
176.620000
Exact Mass
176.051654
SMILES
C[C@@H](C1=CC(=CN=C1)F)N.Cl
InChI
InChI=1S/C7H9FN2.ClH/c1-5(9)6-2-7(8)4-10-3-6;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKey
RGBBRERIRAVGOD-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.05
TPSA
38.91

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.62

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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