5-硝基-1,3-苯二甲酰胺
TL;DR: 5-硝基-1,3-苯二甲酰胺 (CAS 38177-07-0) 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.
5-硝基-1,3-苯二甲酰胺
5-nitrobenzene-1,3-dicarboxamide
Also Known As: 5-Nitroisophthalamide, 5-Nitroisophthaldiamide, 5-nitrobenzene-1,3-dicarboxamide, 5-Nitro-1,3-benzenedicarboxamide, 1,3-Benzenedicarboxamide, 5-nitro-
| Molecular Formula | C8H7N3O4 |
|---|---|
| Molecular Weight | 209.04 g/mol |
| LogP | -0.1 |
| 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 | 277.0 |
Chemical Identifiers
| CAS Number | 38177-07-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])C(=O)N |
| InChIKey | SDQJTJLJXCWVQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-1,3-苯二甲酰胺 (CAS 38177-07-0), with molecular formula C8H7N3O4 and molecular weight 209.04 g/mol. IUPAC: 5-nitrobenzene-1,3-dicarboxamide.
Chemical Property Profile of 5-硝基-1,3-苯二甲酰胺
Property Insights of 5-硝基-1,3-苯二甲酰胺
The XLogP value of -0.1 indicates that 5-硝基-1,3-苯二甲酰胺 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 5-硝基-1,3-苯二甲酰胺. Following Lipinski's Rule of Five, 5-硝基-1,3-苯二甲酰胺 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-硝基-1,3-苯二甲酰胺?
The CAS number of 5-硝基-1,3-苯二甲酰胺 is 38177-07-0.
What is the molecular formula of 5-硝基-1,3-苯二甲酰胺?
The molecular formula of 5-硝基-1,3-苯二甲酰胺 is C8H7N3O4.
What is the molecular weight of 5-硝基-1,3-苯二甲酰胺?
The molecular weight of 5-硝基-1,3-苯二甲酰胺 is 209.04 g/mol.
Where can I buy 5-硝基-1,3-苯二甲酰胺?
You can request a quote for 5-硝基-1,3-苯二甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-1,3-苯二甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-1,3-苯二甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.