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: 3
- 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.
22615-33-4 / cyclohex-3-en-1-amine;hydrochloride
Basic Information
CAS
22615-33-4
Multi CAS
No
Molecular Formula
C6H12ClN
Molecular Weight
133.620000
Exact Mass
133.065827
SMILES
C1CC(CC=C1)N.Cl
InChI
InChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H
InChIKey
OTEBFUBTLSFFRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.21
TPSA
26.02
LogP / Solubility
WLOGP
1.48
MLOGP
1.29
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.49
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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