![CAS 347195-73-7 8-Boc-3,8-diaza-bicyclo[3.2.1]octane, HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/347195-73-7.gif)
CAS RN: 347195-73-7
8-Boc-3,8-diaza-bicyclo[3.2.1]octane, HCl
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.20250619 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS347195-73-7
- Purity/Analytical Methods: >99.0%
347195-73-7 / tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
Basic Information
CAS
347195-73-7
Multi CAS
Yes
Molecular Formula
C11H21CLN2O2
Molecular Weight
248.750000
Exact Mass
248.129156
InChI
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8;/h8-9,12H,4-7H2,1-3H3;1H
InChIKey
PEFVMMCFCHFPIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65
TPSA
41.57
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.97
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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