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CAS 19146-54-4 (S)-1-Cyclohexylpropan-1-amine hydrochloride molecular structure lightbox
CAS RN: 19146-54-4

(S)-1-Cyclohexylpropan-1-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19146-54-4
  • Purity/Analytical Methods: >99.0%
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19146-54-4 / (1S)-1-cyclohexylpropan-1-amine;hydrochloride

Standard CAS: 19146-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19146-54-4
Multi CAS
No
Molecular Formula
C9H20ClN
Molecular Weight
177.710000
Exact Mass
177.128427
SMILES
CC[C@@H](C1CCCCC1)N.Cl
InChI
InChI=1S/C9H19N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h8-9H,2-7,10H2,1H3;1H/t9-;/m0./s1
InChIKey
RCZJYHDMXBYONO-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.09
TPSA
26.02

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-1.87

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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