4-Nitro-2-sulfobenzoic acid
TL;DR: 4-Nitro-2-sulfobenzoic acid (CAS 5344-48-9) is a chemical compound with molecular formula C7H5NO7S and molecular weight 246.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-sulfobenzoic acid
Also Known As: 4-nitro-2-sulfobenzoic acid, 4-Nitro-2-sulfobenzoicacid, 4-nitro-2-sulfo-benzoic acid, Benzoic acid, 4-nitro-2-sulfo-, 2-carboxy-5-nitrobenzenesulfonic acid
| Molecular Formula | C7H5NO7S |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.97867 |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 5344-48-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)O |
| InChIKey | LCOPFDUKOIUDFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-2-sulfobenzoic acid (CAS 5344-48-9), with molecular formula C7H5NO7S and molecular weight 246.98 g/mol. IUPAC: 4-nitro-2-sulfobenzoic acid.
Chemical Property Profile of 4-Nitro-2-sulfobenzoic acid
Property Insights of 4-Nitro-2-sulfobenzoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-sulfobenzoic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting 4-Nitro-2-sulfobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitro-2-sulfobenzoic acid has 2 hydrogen bond donor(s) and 7 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-Nitro-2-sulfobenzoic acid?
The CAS number of 4-Nitro-2-sulfobenzoic acid is 5344-48-9.
What is the molecular formula of 4-Nitro-2-sulfobenzoic acid?
The molecular formula of 4-Nitro-2-sulfobenzoic acid is C7H5NO7S.
What is the molecular weight of 4-Nitro-2-sulfobenzoic acid?
The molecular weight of 4-Nitro-2-sulfobenzoic acid is 246.98 g/mol.
Where can I buy 4-Nitro-2-sulfobenzoic acid?
You can request a quote for 4-Nitro-2-sulfobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-sulfobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-sulfobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.