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: 1g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Shanghai | Inquiry |
| 1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
32650-62-7 / ethyl 3,3,3-triethoxypropanoate
Basic Information
CAS
32650-62-7
Multi CAS
Yes
Molecular Formula
C11H22O5
Molecular Weight
234.290000
Exact Mass
234.146724
InChI
InChI=1S/C11H22O5/c1-5-13-10(12)9-11(14-6-2,15-7-3)16-8-4/h5-9H2,1-4H3
InChIKey
PIVYSIAHRZAYMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
58.86
TPSA
53.99
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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