CAS RN: 182323-68-8
(R)-2-(PHENOXYMETHYL)-PYRROLIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260219 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS182323-68-8
- Purity/Analytical Methods: >99.0%
182323-68-8 / (2R)-2-(phenoxymethyl)pyrrolidine
Basic Information
CAS
182323-68-8
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
C1C[C@@H](NC1)COC2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h1-3,6-7,10,12H,4-5,8-9H2/t10-/m1/s1
InChIKey
CVINTVJDIQIIGZ-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.96
TPSA
21.26
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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