CAS RN: 620960-38-5
R,R-2-(1,3-dihydro-2H-isoindol-2-yl)-CyclohexanaMine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS620960-38-5
- Purity/Analytical Methods: >99.0%
620960-38-5 / 2-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine
Basic Information
CAS
620960-38-5
Multi CAS
Yes
Molecular Formula
C14H20N2
Molecular Weight
216.320000
Exact Mass
216.162649
InChI
InChI=1S/C14H20N2/c15-13-7-3-4-8-14(13)16-9-11-5-1-2-6-12(11)10-16/h1-2,5-6,13-14H,3-4,7-10,15H2/t13-,14-/m1/s1
InChIKey
NOGOXXJPGYALOO-ZIAGYGMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.92
TPSA
29.26
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
1.7
Consensus LogP
1.99
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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