CAS RN: 689297-68-5
Kv2-IN-A1
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.20250922 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS689297-68-5
- Purity/Analytical Methods: >99.0%
689297-68-5 / 3-(3-chlorophenyl)-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide
Basic Information
CAS
689297-68-5
Multi CAS
No
Molecular Formula
C20H17CLN4OS
Molecular Weight
396.900000
Exact Mass
396.081160
InChI
InChI=1S/C20H17ClN4OS/c1-12(13-3-2-4-14(21)8-13)7-19(26)23-15-5-6-16-17(9-15)25-20(24-16)18-10-27-11-22-18/h2-6,8-12H,7H2,1H3,(H,23,26)(H,24,25)
InChIKey
MRQZOINSVKHDQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
110.32
TPSA
70.67
LogP / Solubility
WLOGP
5.47
MLOGP
4.84
XLogP3
4.5
Consensus LogP
4.94
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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