5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide
TL;DR: 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide (CAS 128388-57-8) is a chemical compound with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
Also Known As: 1,3-Benzenedicarboxamide, 5-nitro-N,N'-diphenyl-, 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide, 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide, 5-Nitro-N~1~,N~3~-diphenylbenzene-1,3-dicarboxamide, RefChem:304437
| Molecular Formula | C20H15N3O4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10626 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 128388-57-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 |
| InChIKey | RNLUSMDWXFRCFV-UHFFFAOYSA-N |
Product Overview
5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide (CAS 128388-57-8), with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol. IUPAC: 5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
Chemical Property Profile of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide
Property Insights of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide
The XLogP value of 3.4 indicates that 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide. Following Lipinski's Rule of Five, 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide 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 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide?
The CAS number of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide is 128388-57-8.
What is the molecular formula of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide?
The molecular formula of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide is C20H15N3O4.
What is the molecular weight of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide?
The molecular weight of 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide is 361.11 g/mol.
Where can I buy 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide?
You can request a quote for 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-N1,N3-diphenyl-1,3-benzenedicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.