AB00713151-01
TL;DR: AB00713151-01 (CAS 380478-48-8) is a chemical compound with molecular formula C20H18BrN3O4 and molecular weight 443.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
Also Known As: AB00713151-01, (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide, N-(2-bromo-4-nitro-phenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide, N-(2-bromo-4-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
Technical Specifications
| Molecular Formula | C20H18BrN3O4 |
| Molecular Weight | 443.04807 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.04807 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | CC(C)COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br |
| InChIKey | OQJKPTMSAVSDPJ-OQLLNIDSSA-N |
Chemical Property Profile of AB00713151-01
Property Insights of AB00713151-01
The XLogP value of 5.5 indicates that AB00713151-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00713151-01. Following Lipinski's Rule of Five, AB00713151-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AB00713151-01?
The CAS number of AB00713151-01 is 380478-48-8.
What is the molecular formula of AB00713151-01?
The molecular formula of AB00713151-01 is C20H18BrN3O4.
What is the molecular weight of AB00713151-01?
The molecular weight of AB00713151-01 is 443.04807 g/mol.
Where can I buy AB00713151-01?
You can request a quote for AB00713151-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00713151-01?
Yes, CoreyChem provides custom synthesis services for AB00713151-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.