![CAS 34668-52-5 (1R,5R)-9-azabicyclo[3.3.1]nona-2,6-diene hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34668-52-5.gif)
CAS RN: 34668-52-5
(1R,5R)-9-azabicyclo[3.3.1]nona-2,6-diene hydrochloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS34668-52-5
- Purity/Analytical Methods: >99.0%
34668-52-5 / (1R,5R)-9-azabicyclo[3.3.1]nona-2,6-diene;hydrochloride
Basic Information
CAS
34668-52-5
Multi CAS
Yes
Molecular Formula
C8H12CLN
Molecular Weight
157.640000
Exact Mass
157.065827
InChI
InChI=1S/C8H11N.ClH/c1-3-7-5-2-6-8(4-1)9-7;/h1-3,6-9H,4-5H2;1H/t7-,8+;/m0./s1
InChIKey
YUMUZUGVHYEVMJ-KZYPOYLOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.47
TPSA
12.03
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.65
Consensus LogP
1.58
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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