![CAS 118000-64-9 4-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118000-64-9.gif)
CAS RN: 118000-64-9
4-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzonitrile
- Product code: SSC-017880
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 | Shanghai | Inquiry |
118000-64-9 / 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzonitrile
4-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzonitrile | MFCD22043209 | 4-{6-chloroimidazo[1,2-a]pyridin-2-yl}benzonitrile
Basic Information
CAS
118000-64-9
Multi CAS
No
Molecular Formula
C14H8ClN3
Molecular Weight
253.680000
Exact Mass
253.040675
SMILES
C1=CC(=CC=C1C#N)C2=CN3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C14H8ClN3/c15-12-5-6-14-17-13(9-18(14)8-12)11-3-1-10(7-16)2-4-11/h1-6,8-9H
InChIKey
AHKKVQQCUJXUPP-UHFFFAOYSA-N
Synonyms
4-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzonitrile
MFCD22043209
4-{6-chloroimidazo[1,2-a]pyridin-2-yl}benzonitrile
AKOS017271296
AS-8151
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
70.35
TPSA
41.09
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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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