CAS RN: 565452-98-4
Vildagliptin Chloroacetyl Nitrile (R)-Isomer
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS565452-98-4
- Purity/Analytical Methods: >99.0%
565452-98-4 / (2R)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
Basic Information
CAS
565452-98-4
Multi CAS
Yes
Molecular Formula
C7H9CLN2O
Molecular Weight
172.610000
Exact Mass
172.040341
InChI
InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m1/s1
InChIKey
YCWRPKBYQZOLCD-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.07
TPSA
44.1
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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