Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-
TL;DR: Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- (CAS 111601-51-5) is a chemical compound with molecular formula C15H11BrN2 and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-1-(1H-indol-3-yl)methanimine
Also Known As: N-((1H-Indol-3-yl)methylene)-4-bromoaniline, 4-bromo-N-(indol-3-ylidenemethyl)aniline, Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-, (4-bromophenyl)(1H-indol-3-ylmethylene)amine, 4-bromo-N-[(Z)-indol-3-ylidenemethyl]aniline
| Molecular Formula | C15H11BrN2 |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.01056 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 111601-51-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)Br |
| InChIKey | LBGPGTLYNQLPGT-UHFFFAOYSA-N |
Product Overview
Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- (CAS 111601-51-5), with molecular formula C15H11BrN2 and molecular weight 298.01 g/mol. IUPAC: N-(4-bromophenyl)-1-(1H-indol-3-yl)methanimine.
Chemical Property Profile of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-
Property Insights of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-
The XLogP value of 4.2 indicates that Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-?
The CAS number of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- is 111601-51-5.
What is the molecular formula of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-?
The molecular formula of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- is C15H11BrN2.
What is the molecular weight of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-?
The molecular weight of Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- is 298.01 g/mol.
Where can I buy Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-?
You can request a quote for Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-bromo-N-(1H-indol-3-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.