CAS RN: 1416438-03-3
1-m-Tolylcyclobutanamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1416438-03-3
- Purity/Analytical Methods: >99.0%
1416438-03-3 / 1-(3-methylphenyl)cyclobutan-1-amine;hydrochloride
Basic Information
CAS
1416438-03-3
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
CC1=CC(=CC=C1)C2(CCC2)N.Cl
InChI
InChI=1S/C11H15N.ClH/c1-9-4-2-5-10(8-9)11(12)6-3-7-11;/h2,4-5,8H,3,6-7,12H2,1H3;1H
InChIKey
YTLUCHQNIIQPTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.14
TPSA
26.02
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-1.97
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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