2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone
TL;DR: 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone (CAS 34072-04-3) is a chemical compound with molecular formula C18H10Cl2N4O6 and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-bis(3-nitroanilino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-bis(3-nitroanilino)-3,6-dichloro-1,4-benzoquinone, 2,5-dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone, 2,5-dichloro-3,6-bis(3-nitroanilino)cyclohexa-2,5-diene-1,4-dione, 2,5-dichloro-3,6-bis[(3-nitrophenyl)amino]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C18H10Cl2N4O6 |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 4.0796 |
| Topological Polar Surface Area | 144.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.99774 |
| Heavy Atoms | 30 |
| Complexity | 1083.2715 |
Chemical Identifiers
| CAS Number | 34072-04-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)[N+](=O)[O-])Cl |
Product Overview
2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone (CAS 34072-04-3), with molecular formula C18H10Cl2N4O6 and molecular weight 448.00 g/mol. IUPAC: 2,5-dichloro-3,6-bis(3-nitroanilino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone
Property Insights of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone
The XLogP value of 4.0796 indicates that 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.48 Ų indicates high polarity, suggesting 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone has 2 hydrogen bond donor(s) and 8 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(3-nitroanilino)benzo-1,4-quinone?
The CAS number of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone is 34072-04-3.
What is the molecular formula of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone?
The molecular formula of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone is C18H10Cl2N4O6.
What is the molecular weight of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone?
The molecular weight of 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone is 448.00 g/mol.
Where can I buy 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone?
You can request a quote for 2,5-Dichloro-3,6-bis(3-nitroanilino)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(3-nitroanilino)benzo-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-bis(3-nitroanilino)benzo-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.