2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone
TL;DR: 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone (CAS 29001-53-4) is a chemical compound with molecular formula C18H10Cl2F2N2O2 and molecular weight 394.01 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-fluoroanilino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-bis(4-fluoroanilino)-3,6-dichloro-1,4-benzoquinone, 2,5-dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone, 2,5-dichloro-3,6-bis(4-fluoroanilino)cyclohexa-2,5-diene-1,4-dione, 2,5-dichloro-3,6-bis[(4-fluorophenyl)amino]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C18H10Cl2F2N2O2 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 4.5414 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.00873 |
| Heavy Atoms | 26 |
| Complexity | 872.6613 |
Chemical Identifiers
| CAS Number | 29001-53-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)F)Cl)F |
Product Overview
2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone (CAS 29001-53-4), with molecular formula C18H10Cl2F2N2O2 and molecular weight 394.01 g/mol. IUPAC: 2,5-dichloro-3,6-bis(4-fluoroanilino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone
Property Insights of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone
The XLogP value of 4.5414 indicates that 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone 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 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone?
The CAS number of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone is 29001-53-4.
What is the molecular formula of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone?
The molecular formula of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone is C18H10Cl2F2N2O2.
What is the molecular weight of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone?
The molecular weight of 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone is 394.01 g/mol.
Where can I buy 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone?
You can request a quote for 2,5-Dichloro-3,6-bis(4-fluoroanilino)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-fluoroanilino)benzo-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-bis(4-fluoroanilino)benzo-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.