![CAS 1251015-74-3 Tert-Butyl 9-Amino-3-Oxa-7-Azabicyclo[3.3.1]Nonane-7-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251015-74-3.gif)
CAS RN: 1251015-74-3
Tert-Butyl 9-Amino-3-Oxa-7-Azabicyclo[3.3.1]Nonane-7-Carboxylate
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.20250404 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1251015-74-3
- Purity/Analytical Methods: >99.0%
1251015-74-3 / tert-butyl 9-amino-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Basic Information
CAS
1251015-74-3
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC(=O)N1CC2COCC(C1)C2N
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-4-8-6-16-7-9(5-14)10(8)13/h8-10H,4-7,13H2,1-3H3
InChIKey
QYBPHULJRAEWEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.58
TPSA
64.79
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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