CAS RN: 842121-96-4
(3,5-Dibromo-phenyl)-diphenyl-amine
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.20251124 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS842121-96-4
- Purity/Analytical Methods: >99.0%
842121-96-4 / 3,5-dibromo-N,N-diphenylaniline
Basic Information
CAS
842121-96-4
Multi CAS
No
Molecular Formula
C18H13BR2N
Molecular Weight
403.100000
Exact Mass
402.939430
InChI
InChI=1S/C18H13Br2N/c19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H
InChIKey
RZWVHVSSKSRSJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
96.53
TPSA
3.24
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
6.5
Consensus LogP
6.36
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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