1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-
TL;DR: 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- (CAS 132199-13-4) is a chemical compound with molecular formula C16H9BrClNO2 and molecular weight 360.95053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3-(4-chloroanilino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-, 2-bromo-3-(4-chloroanilino)naphthalene-1,4-dione, 2-bromo-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione, 1,4-Naphthalenedione,2-bromo-3-[(4-chlorophenyl)amino]-
Technical Specifications
| Molecular Formula | C16H9BrClNO2 |
| Molecular Weight | 360.95053 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.95053 Da |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)NC3=CC=C(C=C3)Cl |
| InChIKey | TXBFDLLERQOZTB-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-
Property Insights of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-
The XLogP value of 3.9 indicates that 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-?
The CAS number of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- is 132199-13-4.
What is the molecular formula of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-?
The molecular formula of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- is C16H9BrClNO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-?
The molecular weight of 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- is 360.95053 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-?
You can request a quote for 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)-?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthalenedione, 2-bromo-3-((4-chlorophenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.