CAS RN: 1233859-84-1
(R)-tert-Butyl 1-(3-aminopyridin-2-yl)pyrrolidin-3-ylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1233859-84-1
- Purity/Analytical Methods: >99.0%
1233859-84-1 / tert-butyl N-[(3R)-1-(3-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
Basic Information
CAS
1233859-84-1
Multi CAS
No
Molecular Formula
C14H22N4O2
Molecular Weight
278.350000
Exact Mass
278.174276
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C2=C(C=CC=N2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-10-6-8-18(9-10)12-11(15)5-4-7-16-12/h4-5,7,10H,6,8-9,15H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKey
NYNCUPCZXWQXQS-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.64
TPSA
80.48
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.5
Consensus LogP
1.61
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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