CAS RN: 6734-42-5
(2S,4S)-1,4-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.20251015 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS6734-42-5
- Purity/Analytical Methods: >99.0%
6734-42-5 / (2S,4S)-1,4-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
6734-42-5
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c1-5-3-6(7(9)10)8(2)4-5;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKey
YLIZPZWPKMDGPI-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.08
TPSA
40.54
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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