4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
TL;DR: 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione (CAS 30747-27-4) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
Also Known As: 4,5-bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 30747-27-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)OC |
| InChIKey | VEOIFVBERZZEHN-UHFFFAOYSA-N |
Product Overview
4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione (CAS 30747-27-4), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: 4,5-bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
Property Insights of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione. Following Lipinski's Rule of Five, 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione has 2 hydrogen bond donor(s) and 6 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-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione?
The CAS number of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione is 30747-27-4.
What is the molecular formula of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione is C20H18N2O4.
What is the molecular weight of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione is 350.13 g/mol.
Where can I buy 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4,5-Bis(4-methoxyanilino)cyclohexa-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-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.