CAS RN: 186452-09-5
(S)-3-(Pyridine-3-yl)propyl-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
14 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250703 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260118 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260417 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251024 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250312 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251006 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260219 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260324 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260218 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251022 | 10mg | Out of stock | Inquiry | ||
| Batchno.20250616 | 1mg | Out of stock | Inquiry | ||
| Batchno.20260609 | 25mg | In stock | Inquiry | ||
| Batchno.20250926 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250506 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS186452-09-5
- Purity/Analytical Methods: >99.0%
186452-09-5 / 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
Basic Information
CAS
186452-09-5
Multi CAS
No
Molecular Formula
C20H28N2O4
Molecular Weight
360.400000
Exact Mass
360.204907
SMILES
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CN=CC=C2
InChI
InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKey
OQAHHWOPVDDWHD-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
97.33
TPSA
76.57
LogP / Solubility
WLOGP
2.55
MLOGP
2.27
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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