![4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate structure](/static/products/848/84819-87-4.png)
4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
TL;DR: 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate (CAS 84819-87-4) is a chemical compound with molecular formula C14H9Br2NO3 and molecular weight 396.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
Also Known As: 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate, 2,6-dibromo-[1,4]benzoquinon-4-(4-acetoxy-phenylimine), [4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
| Molecular Formula | C14H9Br2NO3 |
|---|---|
| Molecular Weight | 396.89 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.89493 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 84819-87-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)Br)Br |
| InChIKey | CANSAWQFKJWHDV-UHFFFAOYSA-N |
Product Overview
4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate (CAS 84819-87-4), with molecular formula C14H9Br2NO3 and molecular weight 396.89 g/mol. IUPAC: [4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate.
Chemical Property Profile of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
Property Insights of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
The XLogP value of 3.4 indicates that 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.7 Ų, 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate has 0 hydrogen bond donor(s) and 4 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-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate?
The CAS number of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate is 84819-87-4.
What is the molecular formula of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate?
The molecular formula of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate is C14H9Br2NO3.
What is the molecular weight of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate?
The molecular weight of 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate is 396.89 g/mol.
Where can I buy 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate?
You can request a quote for 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.