CAS RN: 67330-66-9
2-cyclopentylbenzenaMine
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.20260315 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67330-66-9
- Purity/Analytical Methods: >99.0%
67330-66-9 / 2-cyclopentylaniline
Basic Information
CAS
67330-66-9
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
InChI
InChI=1S/C11H15N/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKey
RNEFHIAHLCMFLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.06
TPSA
26.02
LogP / Solubility
WLOGP
2.93
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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