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CAS RN: 1212176-69-6
(1R,2S,4S)-2-AMINOBICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID HYDROCHLORIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1212176-69-6
- Purity/Analytical Methods: >99.0%
1212176-69-6 / (1R,2S,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
(1R,2S,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride | endo-2-Aminonorbornane-2-carboxylic acid hydrochloride | rel-(1R,2S,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
Basic Information
CAS
1212176-69-6
Multi CAS
Yes
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C1C[C@@H]2C[C@H]1C[C@]2(C(=O)O)N.Cl
InChI
InChI=1S/C8H13NO2.ClH/c9-8(7(10)11)4-5-1-2-6(8)3-5;/h5-6H,1-4,9H2,(H,10,11);1H/t5-,6+,8-;/m0./s1
InChIKey
VPKXFQOKRQNCRU-CLFDHOPQSA-N
Synonyms
(1R,2S,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
endo-2-Aminonorbornane-2-carboxylic acid hydrochloride
rel-(1R,2S,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
MFCD08460288
AKOS010365903
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.25
TPSA
63.32
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.17
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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