4,4'-Methanediylbis(2-bromoaniline)
TL;DR: 4,4'-Methanediylbis(2-bromoaniline) (CAS 578-22-3) is a chemical compound with molecular formula C13H12Br2N2 and molecular weight 353.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-3-bromophenyl)methyl]-2-bromoaniline
Also Known As: 4,4'-methanediylbis(2-bromoaniline), 4,4'-methylenebis(2-bromoaniline), 4-[(4-amino-3-bromophenyl)methyl]-2-bromoaniline, 4-[(4-amino-3-bromo-phenyl)methyl]-2-bromo-aniline, 4,4 -Methylenebis(2-bromoaniline)
| Molecular Formula | C13H12Br2N2 |
|---|---|
| Molecular Weight | 353.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.9367 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 578-22-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Br)Br)N |
| InChIKey | QHNJDSRKOHTZMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Methanediylbis(2-bromoaniline) (CAS 578-22-3), with molecular formula C13H12Br2N2 and molecular weight 353.94 g/mol. IUPAC: 4-[(4-amino-3-bromophenyl)methyl]-2-bromoaniline.
Chemical Property Profile of 4,4'-Methanediylbis(2-bromoaniline)
Property Insights of 4,4'-Methanediylbis(2-bromoaniline)
The XLogP value of 3.9 indicates that 4,4'-Methanediylbis(2-bromoaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4,4'-Methanediylbis(2-bromoaniline) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Methanediylbis(2-bromoaniline) has 2 hydrogen bond donor(s) and 2 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 4,4'-Methanediylbis(2-bromoaniline)?
The CAS number of 4,4'-Methanediylbis(2-bromoaniline) is 578-22-3.
What is the molecular formula of 4,4'-Methanediylbis(2-bromoaniline)?
The molecular formula of 4,4'-Methanediylbis(2-bromoaniline) is C13H12Br2N2.
What is the molecular weight of 4,4'-Methanediylbis(2-bromoaniline)?
The molecular weight of 4,4'-Methanediylbis(2-bromoaniline) is 353.94 g/mol.
Where can I buy 4,4'-Methanediylbis(2-bromoaniline)?
You can request a quote for 4,4'-Methanediylbis(2-bromoaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methanediylbis(2-bromoaniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methanediylbis(2-bromoaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.