![CAS 13962-79-3 (1R,5S,9-anti)-3-Methyl-3-azabicyclo[3.3.1]nonane-9-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13962-79-3.gif)
CAS RN: 13962-79-3
(1R,5S,9-anti)-3-Methyl-3-azabicyclo[3.3.1]nonane-9-ol
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13962-79-3
- Purity/Analytical Methods: >99.0%
13962-79-3 / (1R,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
Basic Information
CAS
13962-79-3
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
SMILES
CN1C[C@H]2CCC[C@@H](C1)C2O
InChI
InChI=1S/C9H17NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3/t7-,8+,9?
InChIKey
GTSORJFWHKEXQH-JVHMLUBASA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.33
TPSA
23.47
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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