CAS RN: 40221-52-1
CYCLOOCTYLMETHYLAMINE
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.20260430 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40221-52-1
- Purity/Analytical Methods: >99.0%
40221-52-1 / cyclooctylmethanamine
Basic Information
CAS
40221-52-1
Multi CAS
Yes
Molecular Formula
C9H19N
Molecular Weight
141.250000
Exact Mass
141.151750
InChI
InChI=1S/C9H19N/c1-10-9-7-5-3-2-4-6-8-9/h9-10H,2-8H2,1H3
InChIKey
KSWJKWKZMNCDJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.86
TPSA
26.02
LogP / Solubility
WLOGP
2.31
MLOGP
2.02
XLogP3
2.7
Consensus LogP
2.34
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-1.94
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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