CAS RN: 2682112-63-4
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2682112-63-4
- Purity/Analytical Methods: >99.0%
2682112-63-4 / tert-butyl N-(7-azabicyclo[2.2.1]heptan-2-yl)carbamate;hydrochloride
Basic Information
CAS
2682112-63-4
Multi CAS
No
Molecular Formula
C11H21ClN2O2
Molecular Weight
248.750000
Exact Mass
248.129156
SMILES
CC(C)(C)OC(=O)NC1CC2CCC1N2.Cl
InChI
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-7-4-5-8(9)12-7;/h7-9,12H,4-6H2,1-3H3,(H,13,14);1H
InChIKey
CTUPSFKVOJMISH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.97
TPSA
50.36
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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