4,5-Dianilinocyclohexa-3,5-diene-1,2-dione
TL;DR: 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione (CAS 7461-66-7) is a chemical compound with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dianilinocyclohexa-3,5-diene-1,2-dione
Also Known As: 4,5-Dianilino-o-benzoquinone, 4,5-Dianilino-1,2-benzoquinone, 4,5-dianilinocyclohexa-3,5-diene-1,2-dione, J1.187.287E, J1.426.999A
| Molecular Formula | C18H14N2O2 |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.10553 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 7461-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC(=O)C(=O)C=C2NC3=CC=CC=C3 |
| InChIKey | QEKLGRGZPVKNAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dianilinocyclohexa-3,5-diene-1,2-dione (CAS 7461-66-7), with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol. IUPAC: 4,5-dianilinocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione
Property Insights of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione has 2 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 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione?
The CAS number of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione is 7461-66-7.
What is the molecular formula of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione is C18H14N2O2.
What is the molecular weight of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione is 290.11 g/mol.
Where can I buy 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dianilinocyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.