![CAS 1621863-51-1 (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621863-51-1.gif)
CAS RN: 1621863-51-1
(2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylic acid
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.20260531 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-069732
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: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1621863-51-1 / (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylic acid
Basic Information
CAS
1621863-51-1
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
C1CC2CCC1[C@@H]([C@H]2N)C(=O)O
InChI
InChI=1S/C9H15NO2/c10-8-6-3-1-5(2-4-6)7(8)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5?,6?,7-,8-/m0/s1
InChIKey
NVRDCPXNFPLOAM-GHNGIAPOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.55
TPSA
63.32
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
-1
Consensus LogP
0.19
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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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