2-Nitroterephthalamide
TL;DR: 2-Nitroterephthalamide (CAS 50739-80-5) is a chemical compound with molecular formula C8H7N3O4 and molecular weight 209.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzene-1,4-dicarboxamide
Also Known As: 2-Nitroterephthalamide, 2-nitrobenzene-1,4-dicarboxamide, nitroterephthalamide, 2-Nitroterephthalamide #, 1,4-Benzenedicarboxamide, 2-nitro-
| Molecular Formula | C8H7N3O4 |
|---|---|
| Molecular Weight | 209.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.04366 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 50739-80-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])C(=O)N |
| InChIKey | KTBCABLQCOTTPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitroterephthalamide (CAS 50739-80-5), with molecular formula C8H7N3O4 and molecular weight 209.04 g/mol. IUPAC: 2-nitrobenzene-1,4-dicarboxamide.
Chemical Property Profile of 2-Nitroterephthalamide
Property Insights of 2-Nitroterephthalamide
The XLogP value of -0.3 indicates that 2-Nitroterephthalamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitroterephthalamide. Following Lipinski's Rule of Five, 2-Nitroterephthalamide 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 2-Nitroterephthalamide?
The CAS number of 2-Nitroterephthalamide is 50739-80-5.
What is the molecular formula of 2-Nitroterephthalamide?
The molecular formula of 2-Nitroterephthalamide is C8H7N3O4.
What is the molecular weight of 2-Nitroterephthalamide?
The molecular weight of 2-Nitroterephthalamide is 209.04 g/mol.
Where can I buy 2-Nitroterephthalamide?
You can request a quote for 2-Nitroterephthalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroterephthalamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroterephthalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.