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CAS 3592-82-3 N-propylcyclohexanamine hydrochloride molecular structure lightbox
CAS RN: 3592-82-3

N-propylcyclohexanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS3592-82-3
  • Purity/Analytical Methods: >99.0%
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3592-82-3 / N-propylcyclohexanamine;hydrochloride

Standard CAS: 3592-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3592-82-3
Multi CAS
No
Molecular Formula
C9H20CLN
Molecular Weight
177.710000
Exact Mass
177.128427
InChI
InChI=1S/C9H19N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKey
MDSYHRIWTZGXNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.41
TPSA
12.03

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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