CAS RN: 61406-78-8
3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLIC ACID hydrochloride
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.20251110 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61406-78-8
- Purity/Analytical Methods: >99.0%
61406-78-8 / 3,3-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
61406-78-8
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c1-7(2)3-4-8-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKey
AJFFONDFZKSGAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.07
TPSA
49.33
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.19
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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