CAS RN: 90949-06-7
2-BICYCLO-(2,2,1)-HEPT-2-YL-ETHYLAMINE
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.20260330 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90949-06-7
- Purity/Analytical Methods: >99.0%
90949-06-7 / 2-(2-bicyclo[2.2.1]heptanyl)ethanamine
Basic Information
CAS
90949-06-7
Multi CAS
Yes
Molecular Formula
C9H17N
Molecular Weight
139.240000
Exact Mass
139.136100
InChI
InChI=1S/C9H17N/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-6,10H2
InChIKey
HVBXSUGKPOUETE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.61
TPSA
26.02
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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