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: 8
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
1379649-80-5 / ethyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
Basic Information
CAS
1379649-80-5
Multi CAS
No
Molecular Formula
C9H18O5
Molecular Weight
206.240000
Exact Mass
206.115424
SMILES
CCOC(=O)CCOCCOCCO
InChI
InChI=1S/C9H18O5/c1-2-14-9(11)3-5-12-7-8-13-6-4-10/h10H,2-8H2,1H3
InChIKey
IZNHZTSKIYZKKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.97
TPSA
64.99
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-4
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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