4-Chloro-3,5-dinitrobenzamide
TL;DR: 4-Chloro-3,5-dinitrobenzamide (CAS 20731-63-9) is a chemical compound with molecular formula C7H4ClN3O5 and molecular weight 244.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3,5-dinitrobenzamide
Also Known As: 4-Chloro-3,5-dinitrobenzamide, GLAUCARUBIN, 4-chloro-3,5-dinitro-benzamide, Benzamide, 4-chloro-3,5-dinitro-, 3,5-DINITRO-4-CHLOROBENZAMIDE
| Molecular Formula | C7H4ClN3O5 |
|---|---|
| Molecular Weight | 244.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.98395 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 20731-63-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)N |
| InChIKey | XIYABENEBOSULF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3,5-dinitrobenzamide (CAS 20731-63-9), with molecular formula C7H4ClN3O5 and molecular weight 244.98 g/mol. IUPAC: 4-chloro-3,5-dinitrobenzamide.
Chemical Property Profile of 4-Chloro-3,5-dinitrobenzamide
Property Insights of 4-Chloro-3,5-dinitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dinitrobenzamide. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, 4-Chloro-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 5 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-Chloro-3,5-dinitrobenzamide?
The CAS number of 4-Chloro-3,5-dinitrobenzamide is 20731-63-9.
What is the molecular formula of 4-Chloro-3,5-dinitrobenzamide?
The molecular formula of 4-Chloro-3,5-dinitrobenzamide is C7H4ClN3O5.
What is the molecular weight of 4-Chloro-3,5-dinitrobenzamide?
The molecular weight of 4-Chloro-3,5-dinitrobenzamide is 244.98 g/mol.
Where can I buy 4-Chloro-3,5-dinitrobenzamide?
You can request a quote for 4-Chloro-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.