CAS RN: 97870-64-9
1H-Benzimidazole, 1-(4-bromophenyl)-2-ethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97870-64-9
- Purity/Analytical Methods: >99.0%
97870-64-9 / 1-(4-bromophenyl)-2-ethylbenzimidazole
Basic Information
CAS
97870-64-9
Multi CAS
No
Molecular Formula
BC15H13Rn2
Molecular Weight
301.180000
Exact Mass
300.026210
InChI
InChI=1S/C15H13BrN2/c1-2-15-17-13-5-3-4-6-14(13)18(15)12-9-7-11(16)8-10-12/h3-10H,2H2,1H3
InChIKey
KPQDSYXEIPINCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
78.15
TPSA
17.82
LogP / Solubility
WLOGP
4.35
MLOGP
3.84
XLogP3
4.6
Consensus LogP
4.26
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
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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