![CAS 1172097-47-0 Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172097-47-0.gif)
CAS RN: 1172097-47-0
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250202 | 100mg | In stock | Inquiry |
- Product code: SSC-017093
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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1172097-47-0 / 3-aminobicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride | 3-Aminobicyclo(1.1.1)pentane-1-carboxylic acid hydrochloride | RefChem:497713
Basic Information
CAS
1172097-47-0
Multi CAS
No
Molecular Formula
C6H10ClNO2
Molecular Weight
163.600000
Exact Mass
163.040006
SMILES
C1C2(CC1(C2)N)C(=O)O.Cl
InChI
InChI=1S/C6H9NO2.ClH/c7-6-1-5(2-6,3-6)4(8)9;/h1-3,7H2,(H,8,9);1H
InChIKey
GJEQUVVCBPCCCS-UHFFFAOYSA-N
Synonyms
3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride
3-Aminobicyclo(1.1.1)pentane-1-carboxylic acid hydrochloride
RefChem:497713
882-222-5
MFCD09971722
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.09
TPSA
63.32
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.37
Consensus LogP
0.35
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1172134-12-1 cis-3-(2,5-Dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172134-12-1.gif)
