CAS RN: 1443245-02-0
L-Proline, 1,4,4-trimethyl-
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.20250111 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1443245-02-0
- Purity/Analytical Methods: >99.0%
1443245-02-0 / (2S)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
Basic Information
CAS
1443245-02-0
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CC1(C[C@H](N(C1)C)C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-8(2)4-6(7(10)11)9(3)5-8/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKey
JEMJUABMNNBKBO-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.45
TPSA
40.54
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
-1.1
Consensus LogP
0.13
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.11
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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