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, 10g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
76534-71-9 / 2-(2,2-diethoxyethoxy)ethanamine
Basic Information
CAS
76534-71-9
Multi CAS
No
Molecular Formula
C8H19NO3
Molecular Weight
177.240000
Exact Mass
177.136493
InChI
InChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-10-6-5-9/h8H,3-7,9H2,1-2H3
InChIKey
LVSLKUDPYPWWCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.91
TPSA
53.71
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
-0.3
Consensus LogP
0.12
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 76537-23-0 6-Chloro-imidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76537-23-0.gif)
