3-(((E)-(nitromethylidene)amino)amino)benzoic acid
TL;DR: 3-(((E)-(nitromethylidene)amino)amino)benzoic acid (CAS 91978-88-0) 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.
3-[(2E)-2-(nitromethylidene)hydrazinyl]benzoic acid
Also Known As: Benzoic acid, 3-(N2-nitromethylidenhydrazono)-, 3-[(2E)-2-(Nitromethylene)hydrazino]benzoic acid, 3-(((E)-(nitromethylidene)amino)amino)benzoic acid, 3-{[(E)-(nitromethylidene)amino]amino}benzoic acid, 3-[(2E)-2-(Nitromethylene)hydrazino]benzoic acid #
| Molecular Formula | C8H7N3O4 |
|---|---|
| Molecular Weight | 209.04 g/mol |
| LogP | 1.0167 |
| Topological Polar Surface Area | 104.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.04366 |
| Heavy Atoms | 15 |
| Complexity | 416.10275 |
Chemical Identifiers
| CAS Number | 91978-88-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N/N=C/[N+](=O)[O-])C(=O)O |
Product Overview
3-(((E)-(nitromethylidene)amino)amino)benzoic acid (CAS 91978-88-0), with molecular formula C8H7N3O4 and molecular weight 209.04 g/mol. IUPAC: 3-[(2E)-2-(nitromethylidene)hydrazinyl]benzoic acid.
Chemical Property Profile of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid
Property Insights of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid
The XLogP value of 1.0167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((E)-(nitromethylidene)amino)amino)benzoic acid. The TPSA of 104.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((E)-(nitromethylidene)amino)amino)benzoic acid. Following Lipinski's Rule of Five, 3-(((E)-(nitromethylidene)amino)amino)benzoic acid has 2 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 3-(((E)-(nitromethylidene)amino)amino)benzoic acid?
The CAS number of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid is 91978-88-0.
What is the molecular formula of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid?
The molecular formula of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid is C8H7N3O4.
What is the molecular weight of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid?
The molecular weight of 3-(((E)-(nitromethylidene)amino)amino)benzoic acid is 209.04 g/mol.
Where can I buy 3-(((E)-(nitromethylidene)amino)amino)benzoic acid?
You can request a quote for 3-(((E)-(nitromethylidene)amino)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((E)-(nitromethylidene)amino)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((E)-(nitromethylidene)amino)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.