2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone
TL;DR: 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone (CAS 29027-10-9) is a chemical compound with molecular formula C22H20Cl2N2O4 and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-bis(4-ethoxyanilino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-bis(4-ethoxyanilino)-3,6-dichloro-1,4-benzoquinone, 2,5-dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone, 2,5-dichloro-3,6-bis(4-ethoxyanilino)cyclohexa-2,5-diene-1,4-dione, 2,5-dichloro-3,6-bis[(4-ethoxyphenyl)amino]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C22H20Cl2N2O4 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 5.0606 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.08002 |
| Heavy Atoms | 30 |
| Complexity | 928.938 |
Chemical Identifiers
| CAS Number | 29027-10-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OCC)Cl |
Product Overview
2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone (CAS 29027-10-9), with molecular formula C22H20Cl2N2O4 and molecular weight 446.08 g/mol. IUPAC: 2,5-dichloro-3,6-bis(4-ethoxyanilino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone
Property Insights of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone
The XLogP value of 5.0606 indicates that 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone?
The CAS number of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone is 29027-10-9.
What is the molecular formula of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone?
The molecular formula of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone is C22H20Cl2N2O4.
What is the molecular weight of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone?
The molecular weight of 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone is 446.08 g/mol.
Where can I buy 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone?
You can request a quote for 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-bis(4-ethoxyanilino)benzo-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.