CAS RN: 1946010-97-4
(2S,5S)-1,5-dimethylpyrrolidine-2-carboxylic acid hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1946010-97-4
- Purity/Analytical Methods: >99.0%
1946010-97-4 / (2S,5S)-1,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1946010-97-4
Multi CAS
No
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
C[C@H]1CC[C@H](N1C)C(=O)O.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-5-3-4-6(7(9)10)8(5)2;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKey
VBPPYQMIKMHUJR-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
45.13
TPSA
40.54
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.12
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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