CAS RN: 290326-23-7
4-(5-Chlorothiophen-2-yl)benzoic acid
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.20260316 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS290326-23-7
- Purity/Analytical Methods: >99.0%
290326-23-7 / 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole
Basic Information
CAS
290326-23-7
Multi CAS
Yes
Molecular Formula
C6H10N4
Molecular Weight
138.170000
Exact Mass
138.090546
InChI
InChI=1S/C6H10N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H2,(H,7,8)(H,9,10)
InChIKey
PHBBIAUCDNIHPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.61
TPSA
48.78
LogP / Solubility
WLOGP
-1.01
MLOGP
-0.9
XLogP3
-1.4
Consensus LogP
-1.1
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.28
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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