3-Sulfonatobenzoate
TL;DR: 3-Sulfonatobenzoate (CAS 14995-40-5) is a chemical compound with molecular formula C7H4O5S-2 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfonatobenzoate
Also Known As: 3-sulfonatobenzoate, 3-carboxybenzenesulfonate, Disodium 2-sulphonatobenzoate, EINECS 239-081-4
| Molecular Formula | C7H4O5S-2 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | -1.0458 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.97795 |
| Heavy Atoms | 13 |
| Complexity | 433.95105 |
Chemical Identifiers
| CAS Number | 14995-40-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)[O-] |
Product Overview
3-Sulfonatobenzoate (CAS 14995-40-5), with molecular formula C7H4O5S-2 and molecular weight 199.98 g/mol. IUPAC: 3-sulfonatobenzoate.
Chemical Property Profile of 3-Sulfonatobenzoate
Property Insights of 3-Sulfonatobenzoate
The XLogP value of -1.0458 indicates that 3-Sulfonatobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Sulfonatobenzoate. Following Lipinski's Rule of Five, 3-Sulfonatobenzoate has 0 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-Sulfonatobenzoate?
The CAS number of 3-Sulfonatobenzoate is 14995-40-5.
What is the molecular formula of 3-Sulfonatobenzoate?
The molecular formula of 3-Sulfonatobenzoate is C7H4O5S-2.
What is the molecular weight of 3-Sulfonatobenzoate?
The molecular weight of 3-Sulfonatobenzoate is 199.98 g/mol.
Where can I buy 3-Sulfonatobenzoate?
You can request a quote for 3-Sulfonatobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfonatobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfonatobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.