![CAS 951655-44-0 2-(1-(3-bromophenyl)-1H-benzo[d]imidazol-5-yl)propan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951655-44-0.gif)
CAS RN: 951655-44-0
2-(1-(3-bromophenyl)-1H-benzo[d]imidazol-5-yl)propan-2-ol
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.20251214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS951655-44-0
- Purity/Analytical Methods: >99.0%
951655-44-0 / 2-[1-(3-bromophenyl)benzimidazol-5-yl]propan-2-ol
Basic Information
CAS
951655-44-0
Multi CAS
No
Molecular Formula
BC16H15ORn2
Molecular Weight
331.210000
Exact Mass
330.036780
InChI
InChI=1S/C16H15BrN2O/c1-16(2,20)11-6-7-15-14(8-11)18-10-19(15)13-5-3-4-12(17)9-13/h3-10,20H,1-2H3
InChIKey
BFZPQUAFFBAVMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.01
TPSA
38.05
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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