1,4-Dichloro-5-nitroanthraquinone
TL;DR: 1,4-Dichloro-5-nitroanthraquinone (CAS 3223-90-3) is a chemical compound with molecular formula C14H5Cl2NO4 and molecular weight 320.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-5-nitroanthracene-9,10-dione
Also Known As: 1,4-Dichloro-5-nitroanthraquinone, 1,4-dichloro-5-nitroanthracene-9,10-dione, 3-Nitro-4-chloracetamino-anisol, 1,4-dichloro-5-nitro-9,10-anthraquinone, 1,4-Dichloro-5-nitro-9,10-anthracenedione
| Molecular Formula | C14H5Cl2NO4 |
|---|---|
| Molecular Weight | 320.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.95956 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 3223-90-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl |
| InChIKey | MXBSQEXFJJQOCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichloro-5-nitroanthraquinone (CAS 3223-90-3), with molecular formula C14H5Cl2NO4 and molecular weight 320.96 g/mol. IUPAC: 1,4-dichloro-5-nitroanthracene-9,10-dione.
Chemical Property Profile of 1,4-Dichloro-5-nitroanthraquinone
Property Insights of 1,4-Dichloro-5-nitroanthraquinone
The XLogP value of 4.0 indicates that 1,4-Dichloro-5-nitroanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dichloro-5-nitroanthraquinone. Following Lipinski's Rule of Five, 1,4-Dichloro-5-nitroanthraquinone has 0 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 1,4-Dichloro-5-nitroanthraquinone?
The CAS number of 1,4-Dichloro-5-nitroanthraquinone is 3223-90-3.
What is the molecular formula of 1,4-Dichloro-5-nitroanthraquinone?
The molecular formula of 1,4-Dichloro-5-nitroanthraquinone is C14H5Cl2NO4.
What is the molecular weight of 1,4-Dichloro-5-nitroanthraquinone?
The molecular weight of 1,4-Dichloro-5-nitroanthraquinone is 320.96 g/mol.
Where can I buy 1,4-Dichloro-5-nitroanthraquinone?
You can request a quote for 1,4-Dichloro-5-nitroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichloro-5-nitroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichloro-5-nitroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.