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, 10g, 25g, 5g, 0.1g, 0.25g, 100g, 1000g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 4 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
52809-19-5 / ethyl 3-pyridin-4-ylpropanoate
Basic Information
CAS
52809-19-5
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h5-8H,2-4H2,1H3
InChIKey
ZDXRSMCFRIFFNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.19
TPSA
39.19
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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