![CAS 2361613-60-5 Phenol, 2-[4-bromo-1-[5-(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-1H-benzimidazol-2-yl]-4,6-bis(1,1-dimethylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2361613-60-5.gif)
CAS RN: 2361613-60-5
Phenol, 2-[4-bromo-1-[5-(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-1H-benzimidazol-2-yl]-4,6-bis(1,1-dimethylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2361613-60-5
- Purity/Analytical Methods: >99.0%
2361613-60-5 / 2-[4-bromo-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
Basic Information
CAS
2361613-60-5
Multi CAS
No
Molecular Formula
C37H41BrN2O
Molecular Weight
609.600000
Exact Mass
608.240230
SMILES
CC(C)(C)C1=CC(=C(C=C1)N2C3=C(C(=CC=C3)Br)N=C2C4=C(C(=CC(=C4)C(C)(C)C)C(C)(C)C)O)C5=CC=CC=C5
InChI
InChI=1S/C37H41BrN2O/c1-35(2,3)24-18-19-30(26(20-24)23-14-11-10-12-15-23)40-31-17-13-16-29(38)32(31)39-34(40)27-21-25(36(4,5)6)22-28(33(27)41)37(7,8)9/h10-22,41H,1-9H3
InChIKey
BSJOLEMCIVJQPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
27
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
177.41
TPSA
38.05
LogP / Solubility
WLOGP
10.72
MLOGP
9.48
XLogP3
11.7
Consensus LogP
10.63
Log S (ESOL)
-10.66
Class (ESOL)
Insoluble
Log S (Ali)
-12.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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