CAS RN: 3878-18-0
1H-Benzimidazole,2-(2-thienyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260530 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS3878-18-0
- Purity/Analytical Methods: >99.0%
3878-18-0 / 2-thiophen-2-yl-1H-benzimidazole
Basic Information
CAS
3878-18-0
Multi CAS
No
Molecular Formula
C11H8N2S
Molecular Weight
200.260000
Exact Mass
200.040819
InChI
InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKey
XXCGVPNWMZKOER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.41
TPSA
28.68
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
2.9
Consensus LogP
3.03
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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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