CAS RN: 2879-83-6
N-(4-BROMO-PHENYL)-BENZAMIDE
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.20260503 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2879-83-6
- Purity/Analytical Methods: >99.0%
2879-83-6 / N-benzyl-4-bromoaniline
Basic Information
CAS
2879-83-6
Multi CAS
Yes
Molecular Formula
BC13H12Rn
Molecular Weight
262.140000
Exact Mass
261.015310
InChI
InChI=1S/C13H12BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKey
AZLKZLKCCRFAAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.91
TPSA
12.03
LogP / Solubility
WLOGP
4.06
MLOGP
3.58
XLogP3
3.8
Consensus LogP
3.81
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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