CAS RN: 274692-07-8
(R)-3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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.20250610 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS274692-07-8
- Purity/Analytical Methods: >99.0%
274692-07-8 / tert-butyl (3R)-3-(cyanomethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
274692-07-8
Multi CAS
No
Molecular Formula
C11H18N2O2
Molecular Weight
210.270000
Exact Mass
210.136828
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)CC#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3/t9-/m0/s1
InChIKey
IPLBXZOFLWOERN-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.14
TPSA
53.33
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 274693-26-4 2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/274693-26-4.gif)
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