4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
TL;DR: 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione (CAS 41684-38-2) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
Also Known As: 4,5-bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione, J2.681.776E, 4,5-bis[(4-methylphenyl)imino]cyclohexa-1(6),2-diene-1,2-diol, N,N -Bis(4-methylphenyl)-4,5-dihydroxy-3,5-cyclohexadiene-1,2-diimine
| Molecular Formula | C20H18N2O2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.13684 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 41684-38-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)C |
| InChIKey | YRVIVPJHGYFOFP-UHFFFAOYSA-N |
Product Overview
4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione (CAS 41684-38-2), with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol. IUPAC: 4,5-bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
Property Insights of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
The XLogP value of 3.6 indicates that 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(4-methylanilino)cyclohexa-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-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione?
The CAS number of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione is 41684-38-2.
What is the molecular formula of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione is C20H18N2O2.
What is the molecular weight of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione is 318.14 g/mol.
Where can I buy 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4,5-Bis(4-methylanilino)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-methylanilino)cyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.