3,5-Dinitro-2-(phenylamino)benzamide
TL;DR: 3,5-Dinitro-2-(phenylamino)benzamide (CAS 42747-61-5) is a chemical compound with molecular formula C13H10N4O5 and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-3,5-dinitrobenzamide
Also Known As: 3,5-dinitro-2-(phenylamino)benzamide, 2-anilino-3,5-dinitrobenzamide
| Molecular Formula | C13H10N4O5 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 2.3455 |
| Topological Polar Surface Area | 141.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.06512 |
| Heavy Atoms | 22 |
| Complexity | 725.2758 |
Chemical Identifiers
| CAS Number | 42747-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)N |
Product Overview
3,5-Dinitro-2-(phenylamino)benzamide (CAS 42747-61-5), with molecular formula C13H10N4O5 and molecular weight 302.07 g/mol. IUPAC: 2-anilino-3,5-dinitrobenzamide.
Chemical Property Profile of 3,5-Dinitro-2-(phenylamino)benzamide
Property Insights of 3,5-Dinitro-2-(phenylamino)benzamide
The XLogP value of 2.3455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-2-(phenylamino)benzamide. The TPSA of 141.4 Ų indicates high polarity, suggesting 3,5-Dinitro-2-(phenylamino)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitro-2-(phenylamino)benzamide has 2 hydrogen bond donor(s) and 6 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 3,5-Dinitro-2-(phenylamino)benzamide?
The CAS number of 3,5-Dinitro-2-(phenylamino)benzamide is 42747-61-5.
What is the molecular formula of 3,5-Dinitro-2-(phenylamino)benzamide?
The molecular formula of 3,5-Dinitro-2-(phenylamino)benzamide is C13H10N4O5.
What is the molecular weight of 3,5-Dinitro-2-(phenylamino)benzamide?
The molecular weight of 3,5-Dinitro-2-(phenylamino)benzamide is 302.07 g/mol.
Where can I buy 3,5-Dinitro-2-(phenylamino)benzamide?
You can request a quote for 3,5-Dinitro-2-(phenylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-2-(phenylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-2-(phenylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.