CAS RN: 54615-47-3
(S)-4-Oxopyrrolidine-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.20250805 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54615-47-3
- Purity/Analytical Methods: >99.0%
54615-47-3 / 4-oxopyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
54615-47-3
Multi CAS
Yes
Molecular Formula
C5H8CLNO3
Molecular Weight
165.570000
Exact Mass
165.019271
InChI
InChI=1S/C5H7NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h4,6H,1-2H2,(H,8,9);1H/t4-;/m0./s1
InChIKey
LHFPVIMTRRIIKR-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.3
TPSA
66.4
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.51
XLogP3
-0.58
Consensus LogP
-0.56
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.14
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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![CAS 54620-98-3 5-OXO-1-(4-TOLUENESULFONYL)-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54620-98-3.gif)
