2-(Methoxycarbonyl)-6-nitrobenzoic acid
TL;DR: 2-(Methoxycarbonyl)-6-nitrobenzoic acid (CAS 21606-04-2) is a chemical compound with molecular formula C9H7NO6 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxycarbonyl-6-nitrobenzoic acid
Also Known As: 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, Acetyl isobutyryl, 2-methoxycarbonyl-6-nitrobenzoic acid, methyl 3-nitrophthalate
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.0796 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 467.06705 |
Chemical Identifiers
| CAS Number | 21606-04-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
Product Overview
2-(Methoxycarbonyl)-6-nitrobenzoic acid (CAS 21606-04-2), with molecular formula C9H7NO6 and molecular weight 225.03 g/mol. IUPAC: 2-methoxycarbonyl-6-nitrobenzoic acid.
Chemical Property Profile of 2-(Methoxycarbonyl)-6-nitrobenzoic acid
Property Insights of 2-(Methoxycarbonyl)-6-nitrobenzoic acid
The XLogP value of 1.0796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methoxycarbonyl)-6-nitrobenzoic acid. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methoxycarbonyl)-6-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(Methoxycarbonyl)-6-nitrobenzoic acid has 1 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-(Methoxycarbonyl)-6-nitrobenzoic acid?
The CAS number of 2-(Methoxycarbonyl)-6-nitrobenzoic acid is 21606-04-2.
What is the molecular formula of 2-(Methoxycarbonyl)-6-nitrobenzoic acid?
The molecular formula of 2-(Methoxycarbonyl)-6-nitrobenzoic acid is C9H7NO6.
What is the molecular weight of 2-(Methoxycarbonyl)-6-nitrobenzoic acid?
The molecular weight of 2-(Methoxycarbonyl)-6-nitrobenzoic acid is 225.03 g/mol.
Where can I buy 2-(Methoxycarbonyl)-6-nitrobenzoic acid?
You can request a quote for 2-(Methoxycarbonyl)-6-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methoxycarbonyl)-6-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methoxycarbonyl)-6-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.