CAS RN: 2227198-26-5
cis-3-(trifluoromethyl)cyclobutan-1-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-107417
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
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2227198-26-5 / 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
Basic Information
CAS
2227198-26-5
Multi CAS
No
Molecular Formula
C5H9ClF3N
Molecular Weight
175.580000
Exact Mass
175.037562
SMILES
C1C(CC1N)C(F)(F)F.Cl
InChI
InChI=1S/C5H8F3N.ClH/c6-5(7,8)3-1-4(9)2-3;/h3-4H,1-2,9H2;1H
InChIKey
CSLJNSSCBKHZQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34
TPSA
26.02
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.58
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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