CAS RN: 1443252-76-3
(S)-4,4-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.20251024 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1443252-76-3
- Purity/Analytical Methods: >99.0%
1443252-76-3 / (2S)-4,4-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1443252-76-3
Multi CAS
No
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
CC1(C[C@H](NC1)C(=O)O)C.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-7(2)3-5(6(9)10)8-4-7;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m0./s1
InChIKey
RTSRUEOIZRIOBZ-JEDNCBNOSA-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
Customers Also Viewed
-
-
-
1-(2-Fluoroethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
- CAS RN: 1443279-33-1
- Product Code: starshine_CAS1443279-33-1
- Purity/Analytical method: >99.0%
-
5-(4-Fluoro-phenyl)-3-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
- CAS RN: 1443279-63-7
- Product Code: SSC-055526
-
6-Chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine
- CAS RN: 1443286-78-9
- Product Code: SSC-055529
-
6-Chloro-1-(tetrahydro-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
- CAS RN: 1443286-90-5
- Product Code: SSC-055531
![CAS 1443279-63-7 5-(4-Fluoro-phenyl)-3-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443279-63-7.gif)
![CAS 1443286-78-9 6-Chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443286-78-9.gif)
![CAS 1443286-90-5 6-Chloro-1-(tetrahydro-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443286-90-5.gif)