![CAS 1549443-30-2 4-(6,8-Dichloroimidazo[1,2-a]pyridin-2-yl)benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB33322700.gif)
CAS RN: 1549443-30-2
4-(6,8-Dichloroimidazo[1,2-a]pyridin-2-yl)benzonitrile
- Product code: SSC-064251
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1549443-30-2 / 4-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)benzonitrile
Basic Information
CAS
1549443-30-2
Multi CAS
No
Molecular Formula
C14H7Cl2N3
Molecular Weight
288.100000
Exact Mass
287.001703
SMILES
C1=CC(=CC=C1C#N)C2=CN3C=C(C=C(C3=N2)Cl)Cl
InChI
InChI=1S/C14H7Cl2N3/c15-11-5-12(16)14-18-13(8-19(14)7-11)10-3-1-9(6-17)2-4-10/h1-5,7-8H
InChIKey
WTLORQSOEUVIJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
75.36
TPSA
41.09
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
4.4
Consensus LogP
4.09
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1549812-73-8 tert-butyl N-[(3S,4R)-4-hydroxypiperidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1549812-73-8.gif)