![[(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate structure](/static/products/321/321695-22-1.png)
[(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate
TL;DR: [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate (CAS 321695-22-1) is a chemical compound with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate
Also Known As: 2,3-dimethylbenzo-1,4-quinone 1-[O-(2-bromobenzoyl)oxime], [(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate
| Molecular Formula | C15H12BrNO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 3.4372 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.00006 |
| Heavy Atoms | 20 |
| Complexity | 671.4511 |
Chemical Identifiers
| CAS Number | 321695-22-1 |
|---|---|
| SMILES | CC1=C(C(=O)C=CC1=NOC(=O)C2=CC=CC=C2Br)C |
Product Overview
[(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate (CAS 321695-22-1), with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol. IUPAC: [(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate.
Chemical Property Profile of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate
Property Insights of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate
The XLogP value of 3.4372 indicates that [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate 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 [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate?
The CAS number of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate is 321695-22-1.
What is the molecular formula of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate?
The molecular formula of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate is C15H12BrNO3.
What is the molecular weight of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate?
The molecular weight of [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate is 333.00 g/mol.
Where can I buy [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate?
You can request a quote for [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2,3-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.