![CAS 646055-94-9 1-Azabicyclo[2.2.1]heptane-7-carboxylic acid, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/646055-94-9.gif)
CAS RN: 646055-94-9
1-Azabicyclo[2.2.1]heptane-7-carboxylic acid, hydrochloride
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.20251004 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS646055-94-9
- Purity/Analytical Methods: >99.0%
646055-94-9 / 1-azabicyclo[2.2.1]heptane-7-carboxylic acid;hydrochloride
Basic Information
CAS
646055-94-9
Multi CAS
Yes
Molecular Formula
C7H12CLNO2
Molecular Weight
177.630000
Exact Mass
177.055656
InChI
InChI=1S/C7H11NO2.ClH/c9-7(10)6-5-1-3-8(6)4-2-5;/h5-6H,1-4H2,(H,9,10);1H
InChIKey
BPDNZBDSXBHMNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.97
TPSA
40.54
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
0.59
Consensus LogP
0.56
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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