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, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
89381-07-7 / 3-methylcyclobutan-1-amine;hydrochloride
Basic Information
CAS
89381-07-7
Multi CAS
No
Molecular Formula
C5H12CLN
Molecular Weight
121.610000
Exact Mass
121.065827
InChI
InChI=1S/C5H11N.ClH/c1-4-2-5(6)3-4;/h4-5H,2-3,6H2,1H3;1H
InChIKey
VXDHLHFUJZFKHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.62
TPSA
26.02
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.63
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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