CAS RN: 1559067-54-7
5-bromo-2-tert-butyl-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.20260510 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1559067-54-7
- Purity/Analytical Methods: >99.0%
1559067-54-7 / 5-bromo-2-tert-butyl-1H-imidazole
Basic Information
CAS
1559067-54-7
Multi CAS
No
Molecular Formula
C7H11BrN2
Molecular Weight
203.080000
Exact Mass
202.010560
SMILES
CC(C)(C)C1=NC=C(N1)Br
InChI
InChI=1S/C7H11BrN2/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3,(H,9,10)
InChIKey
MEAHFTSCWFTUCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.99
TPSA
28.68
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
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
-
5-bromo-1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
- CAS RN: 1559067-55-8
- Product Code: SSC-065157
-
methyl 3-bromo-1-methyl-1H-1,2,4-triazole-5-carboxylate
- CAS RN: 1559067-56-9
- Product Code: SSC-065158
-
3-Oxa-bicyclo[4.1.0]heptane-7-carboxylic acid
- CAS RN: 1559792-34-5
- Product Code: starshine_CAS1559792-34-5
- Purity/Analytical method: >99.0%
-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthol
- CAS RN: 1560648-02-3
- Product Code: SSC-065218
-
-
SGC0946
- CAS RN: 1561178-17-3
- Product Code: starshine_CAS1561178-17-3
- Purity/Analytical method: >99.0%
![CAS 1559792-34-5 3-Oxa-bicyclo[4.1.0]heptane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1559792-34-5.gif)
