3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid
TL;DR: 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid (CAS 387360-95-4) is a chemical compound with molecular formula C10H7NO6 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]-2-nitrobenzoic acid
Also Known As: 2-(3-Hydroxycarbonyl-2-nitrophenyl)malondialdehyde, 3-(1-FORMYL-2-HYDROXYVINYL)-2-NITROBENZOIC ACID, 3-(3-[(tert-butoxycarbonyl)amino]phenyl)propanoic acid, 3-(1-hydroxy-3-oxo-prop-1-en-2-yl)-2-nitro-benzoic Acid, 3-[1-(hydroxymethylene)-2-oxoethyl]-2-nitrobenzoic acid
| Molecular Formula | C10H7NO6 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.3908 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.02734 |
| Heavy Atoms | 17 |
| Complexity | 519.52747 |
Chemical Identifiers
| CAS Number | 387360-95-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])/C(=C/O)/C=O |
Product Overview
3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid (CAS 387360-95-4), with molecular formula C10H7NO6 and molecular weight 237.03 g/mol. IUPAC: 3-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]-2-nitrobenzoic acid.
Chemical Property Profile of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid
Property Insights of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid
The XLogP value of 1.3908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic 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-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid?
The CAS number of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid is 387360-95-4.
What is the molecular formula of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid?
The molecular formula of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid is C10H7NO6.
What is the molecular weight of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid?
The molecular weight of 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid is 237.03 g/mol.
Where can I buy 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid?
You can request a quote for 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Formyl-2-hydroxyvinyl)-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.