![CAS 77529-38-5 4′-Bromo[1,1′-biphenyl]-4-acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77529-38-5.gif)
CAS RN: 77529-38-5
4′-Bromo[1,1′-biphenyl]-4-acetamide
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.20250623 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS77529-38-5
- Purity/Analytical Methods: >99.0%
77529-38-5 / 2-[4-(4-bromophenyl)phenyl]acetamide
Basic Information
CAS
77529-38-5
Multi CAS
No
Molecular Formula
BC14H12ORn
Molecular Weight
290.150000
Exact Mass
289.010230
InChI
InChI=1S/C14H12BrNO/c15-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(16)17/h1-8H,9H2,(H2,16,17)
InChIKey
XBODOMUIVYODKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.48
TPSA
43.09
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
3.3
Consensus LogP
3.07
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
