CAS RN: 72459-45-1
1-(2-Bromobenzyl)-1H-imidazole
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.20260609 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72459-45-1
- Purity/Analytical Methods: >99.0%
72459-45-1 / 1-[(2-bromophenyl)methyl]imidazole
Basic Information
CAS
72459-45-1
Multi CAS
No
Molecular Formula
BC10H9Rn2
Molecular Weight
237.100000
Exact Mass
235.994910
InChI
InChI=1S/C10H9BrN2/c11-10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKey
OXQPWBLBKUIDOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.47
TPSA
17.82
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Praeruptorin E
- CAS RN: 72463-77-5
- Product Code: starshine_CAS72463-77-5
- Purity/Analytical method: >99.0%
-
(S)-BENZYL 2-((TERT-BUTOXYCARBONYL)AMINO)-5-(DIMETHYLAMINO)-5-OXOPENTANOATE
- CAS RN: 72468-46-3
- Product Code: SSC-181952
-
-
-
