Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
942511-56-0 / 3-cyclopropylpiperidine;hydrochloride
Basic Information
CAS
942511-56-0
Multi CAS
Yes
Molecular Formula
C8H16CLN
Molecular Weight
161.670000
Exact Mass
161.097127
InChI
InChI=1S/C8H15N.ClH/c1-2-8(6-9-5-1)7-3-4-7;/h7-9H,1-6H2;1H
InChIKey
VCXMKQRRPGYLLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.57
TPSA
12.03
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.42
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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