![CAS 878804-63-8 (E)-3-(Dimethylamino)-1-(3-imidazo[1,2-a]pyridyl)-2-propen-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878804-63-8.gif)
CAS RN: 878804-63-8
(E)-3-(Dimethylamino)-1-(3-imidazo[1,2-a]pyridyl)-2-propen-1-one
- Product code: SSC-198235
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, 100g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
878804-63-8 / (E)-3-(dimethylamino)-1-imidazo[1,2-a]pyridin-3-ylprop-2-en-1-one
Basic Information
CAS
878804-63-8
Multi CAS
Yes
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
InChI
InChI=1S/C12H13N3O/c1-14(2)8-6-11(16)10-9-13-12-5-3-4-7-15(10)12/h3-9H,1-2H3/b8-6+
InChIKey
PUMYPORBYBAZNV-SOFGYWHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
62.35
TPSA
37.61
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
2.1
Consensus LogP
1.7
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
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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