CAS RN: 86116-84-9
(R)-ALPHA-BENZYL-L-PROLINE-HCL
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.20260427 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86116-84-9
- Purity/Analytical Methods: >99.0%
86116-84-9 / (2R)-2-benzylpyrrolidine-2-carboxylic acid
Basic Information
CAS
86116-84-9
Multi CAS
Yes
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
InChI
InChI=1S/C12H15NO2/c14-11(15)12(7-4-8-13-12)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,14,15)/t12-/m1/s1
InChIKey
LIHLFIASPODZOB-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.75
TPSA
49.33
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
-0.6
Consensus LogP
0.7
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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