4-(Carboxymethyl)-3-nitrobenzoic acid
TL;DR: 4-(Carboxymethyl)-3-nitrobenzoic acid (CAS 444667-11-2) 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.
4-(carboxymethyl)-3-nitrobenzoic acid
Also Known As: 4-(carboxymethyl)-3-nitrobenzoic acid, 3-Nitro-homoterephthalsaeure, 4- -3-NITROBENZOICACID, 4-Carboxy-3-nitrophenylacetic acid, Benzeneacetic acid,4-carboxy-2-nitro-
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 0.9201 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 467.06705 |
Chemical Identifiers
| CAS Number | 444667-11-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CC(=O)O |
Product Overview
4-(Carboxymethyl)-3-nitrobenzoic acid (CAS 444667-11-2), with molecular formula C9H7NO6 and molecular weight 225.03 g/mol. IUPAC: 4-(carboxymethyl)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(Carboxymethyl)-3-nitrobenzoic acid
Property Insights of 4-(Carboxymethyl)-3-nitrobenzoic acid
The XLogP value of 0.9201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carboxymethyl)-3-nitrobenzoic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carboxymethyl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Carboxymethyl)-3-nitrobenzoic acid 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 4-(Carboxymethyl)-3-nitrobenzoic acid?
The CAS number of 4-(Carboxymethyl)-3-nitrobenzoic acid is 444667-11-2.
What is the molecular formula of 4-(Carboxymethyl)-3-nitrobenzoic acid?
The molecular formula of 4-(Carboxymethyl)-3-nitrobenzoic acid is C9H7NO6.
What is the molecular weight of 4-(Carboxymethyl)-3-nitrobenzoic acid?
The molecular weight of 4-(Carboxymethyl)-3-nitrobenzoic acid is 225.03 g/mol.
Where can I buy 4-(Carboxymethyl)-3-nitrobenzoic acid?
You can request a quote for 4-(Carboxymethyl)-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carboxymethyl)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carboxymethyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.