CAS RN: 1186426-66-3
DBPR108
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg | Out of stock | Inquiry | |
| Batchno.20250904 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251018 | 250mg | Out of stock | Inquiry | |
| Batchno.20260424 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 50mg | Out of stock | Inquiry | |
| Batchno.20250619 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1186426-66-3
- Purity/Analytical Methods: >99.0%
1186426-66-3 / (2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile | (2S,4S)-4-fluoro-1-(2-((2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino)acetyl)pyrrolidine-2-carbonitrile | RefChem:131050
Basic Information
CAS
1186426-66-3
Multi CAS
Yes
Molecular Formula
C16H25FN4O2
Molecular Weight
324.390000
Exact Mass
324.196154
SMILES
CC(C)(CC(=O)N1CCCC1)NCC(=O)N2C[C@H](C[C@H]2C#N)F
InChI
InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKey
VQKSCYBKUIDZEI-STQMWFEESA-N
Synonyms
(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
(2S,4S)-4-fluoro-1-(2-((2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino)acetyl)pyrrolidine-2-carbonitrile
RefChem:131050
DBPR108
DBPR-108
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.14
TPSA
76.44
LogP / Solubility
WLOGP
0.83
MLOGP
0.75
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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