![CAS 1638760-95-8 tert-butyl N-{3-aminobicyclo[3.2.1]octan-8-yl}carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638760-95-8.gif)
CAS RN: 1638760-95-8
tert-butyl N-{3-aminobicyclo[3.2.1]octan-8-yl}carbamate
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.20250303 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1638760-95-8
- Purity/Analytical Methods: >99.0%
1638760-95-8 / tert-butyl N-(3-amino-8-bicyclo[3.2.1]octanyl)carbamate
Basic Information
CAS
1638760-95-8
Multi CAS
No
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC(C)(C)OC(=O)NC1C2CCC1CC(C2)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-8-4-5-9(11)7-10(14)6-8/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKey
UCJHEFXRJXJZNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.58
TPSA
64.35
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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