![CAS 448949-66-4 2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, hydrochloride , (1S,3R,4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/448949-66-4.gif)
CAS RN: 448949-66-4
2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, hydrochloride , (1S,3R,4R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS448949-66-4
- Purity/Analytical Methods: >99.0%
448949-66-4 / 2-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrochloride
Basic Information
CAS
448949-66-4
Multi CAS
Yes
Molecular Formula
C7H12CLNO2
Molecular Weight
177.630000
Exact Mass
177.055656
InChI
InChI=1S/C7H11NO2.ClH/c9-7(10)6-4-1-2-5(3-4)8-6;/h4-6,8H,1-3H2,(H,9,10);1H/t4-,5+,6-;/m1./s1
InChIKey
WUKAJPOKLIRLLD-KJESCUSBSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.94
TPSA
49.33
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
0.63
Consensus LogP
0.6
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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