CAS RN: 912763-45-2
1H-Imidazole, 5-(3-chlorophenyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS912763-45-2
- Purity/Analytical Methods: >99.0%
912763-45-2 / 5-(3-chlorophenyl)-1H-imidazole
Basic Information
CAS
912763-45-2
Multi CAS
No
Molecular Formula
C9H7CLN2
Molecular Weight
178.620000
Exact Mass
178.029776
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey
YAJYVAFOVNSPBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.03
TPSA
28.68
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5-(3-FLUORO-4-METHOXY-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
- CAS RN: 912763-96-3
- Product Code: SSC-204201
-
tert-Butyl 4-(4-Methylbenzoyl)piperidine-1-carboxylate
- CAS RN: 912768-78-6
- Product Code: SSC-204203
-
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
- CAS RN: 912770-16-2
- Product Code: starshine_CAS912770-16-2
- Purity/Analytical method: >99.0%
-
6-(3-METHOXY-PHENYL)-IMIDAZO[2,1-B]THIAZOLE-3-CARBOXYLIC ACID
- CAS RN: 912770-31-1
- Product Code: SSC-204205
-
![CAS 912770-16-2 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912770-16-2.gif)
![CAS 912770-31-1 6-(3-METHOXY-PHENYL)-IMIDAZO[2,1-B]THIAZOLE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912770-31-1.gif)
