CAS RN: 1036959-27-9
Vildagliptin (2R)-Isomer
Product Availability
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7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250309 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260625 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260412 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260616 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250311 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1036959-27-9
- Purity/Analytical Methods: >99.0%
1036959-27-9 / (2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
DTXSID00870306 | 1-(2-((3-Hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile | 1-[2-[(3-Hydroxyadamantan-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Basic Information
CAS
1036959-27-9
Multi CAS
Yes
Molecular Formula
C17H25N3O2
Molecular Weight
303.400000
Exact Mass
303.194677
SMILES
C1C[C@@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
InChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m1/s1
InChIKey
SYOKIDBDQMKNDQ-JULPFRMLSA-N
Synonyms
DTXSID00870306
1-(2-((3-Hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
1-[2-[(3-Hydroxyadamantan-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile
1-{2-[(3-HYDROXYADAMANTAN-1-YL)AMINO]ACETYL}PYRROLIDINE-2-CARBONITRILE
RefChem:1053870
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.71
TPSA
76.36
LogP / Solubility
WLOGP
1.17
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9
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