2-(2-Nitroethenylamino)benzoic acid
TL;DR: 2-(2-Nitroethenylamino)benzoic acid (CAS 121845-92-9) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroethenylamino)benzoic acid
Also Known As: Maybridge1_006461, 2-(2-nitroethenylamino)benzoic acid, 2-[(2-NITROETHENYL)AMINO]BENZOIC ACID, Benzoic acid, 2-[(2-nitroethenyl)amino]- (9CI), A2090/0087891
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 121845-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC=C[N+](=O)[O-] |
| InChIKey | YWPFGPVRLBUCRW-UHFFFAOYSA-N |
Product Overview
2-(2-Nitroethenylamino)benzoic acid (CAS 121845-92-9), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 2-(2-nitroethenylamino)benzoic acid.
Chemical Property Profile of 2-(2-Nitroethenylamino)benzoic acid
Property Insights of 2-(2-Nitroethenylamino)benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitroethenylamino)benzoic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitroethenylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Nitroethenylamino)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 2-(2-Nitroethenylamino)benzoic acid?
The CAS number of 2-(2-Nitroethenylamino)benzoic acid is 121845-92-9.
What is the molecular formula of 2-(2-Nitroethenylamino)benzoic acid?
The molecular formula of 2-(2-Nitroethenylamino)benzoic acid is C9H8N2O4.
What is the molecular weight of 2-(2-Nitroethenylamino)benzoic acid?
The molecular weight of 2-(2-Nitroethenylamino)benzoic acid is 208.05 g/mol.
Where can I buy 2-(2-Nitroethenylamino)benzoic acid?
You can request a quote for 2-(2-Nitroethenylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitroethenylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitroethenylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.