![CAS 220364-22-7 [3-(4-BROMO-BENZYL)-3H-IMIDAZOL-4-YL]-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220364-22-7.gif)
CAS RN: 220364-22-7
[3-(4-BROMO-BENZYL)-3H-IMIDAZOL-4-YL]-METHANOL
- Product code: SSC-105998
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
220364-22-7 / [3-[(4-bromophenyl)methyl]imidazol-4-yl]methanol
Basic Information
CAS
220364-22-7
Multi CAS
No
Molecular Formula
C11H11BrN2O
Molecular Weight
267.120000
Exact Mass
266.005480
SMILES
C1=CC(=CC=C1CN2C=NC=C2CO)Br
InChI
InChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)6-14-8-13-5-11(14)7-15/h1-5,8,15H,6-7H2
InChIKey
JLBQCMBTWCNPRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.39
TPSA
38.05
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
1.4
Consensus LogP
1.84
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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