CAS RN: 886364-05-2
1-(2-AMINO-1-P-TOLYL-ETHYL)-PYRROLIDINE-3-CARBOXYLIC ACID
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.20260330 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886364-05-2
- Purity/Analytical Methods: >99.0%
886364-05-2 / 1-[2-amino-1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
Basic Information
CAS
886364-05-2
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-10-2-4-11(5-3-10)13(8-15)16-7-6-12(9-16)14(17)18/h2-5,12-13H,6-9,15H2,1H3,(H,17,18)
InChIKey
FSKYQMYLIYKANW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.29
TPSA
66.56
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
-1.4
Consensus LogP
0.41
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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