CAS RN: 1860017-96-4
(2S)-2-methyl-5-phenylpyrrolidine
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.20260227 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1860017-96-4
- Purity/Analytical Methods: >99.0%
1860017-96-4 / (2S)-2-methyl-5-phenylpyrrolidine
Basic Information
CAS
1860017-96-4
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
C[C@H]1CCC(N1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11?/m0/s1
InChIKey
FTUSZADPSPPGFA-FTNKSUMCSA-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
51.01
TPSA
12.03
LogP / Solubility
WLOGP
2.5
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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