![CAS 5877-51-0 Benzenamine, N-[(4-bromophenyl)methylene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5877-51-0.gif)
CAS RN: 5877-51-0
Benzenamine, N-[(4-bromophenyl)methylene]-
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.20260511 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5877-51-0
- Purity/Analytical Methods: >99.0%
5877-51-0 / 1-(4-bromophenyl)-N-phenylmethanimine
Basic Information
CAS
5877-51-0
Multi CAS
No
Molecular Formula
BC13H10Rn
Molecular Weight
260.130000
Exact Mass
258.999660
InChI
InChI=1S/C13H10BrN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-10H
InChIKey
MJSLSMOBYCYMIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.84
TPSA
12.36
LogP / Solubility
WLOGP
4.2
MLOGP
3.7
XLogP3
3.5
Consensus LogP
3.8
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS5882-45-1
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