3-Nitrobenzenesulfonate
TL;DR: 3-Nitrobenzenesulfonate (CAS 30904-40-6) is a chemical compound with molecular formula C6H4NO5S- and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobenzenesulfonate
Also Known As: m-nitrobenzenesulfonate, 3-nitrobenzenesulfonate, 3-nitrobenzenesulonate, m-nitrobenzene sulfonate, 3-nitrobenzene sulphonate
| Molecular Formula | C6H4NO5S- |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 0.4989 |
| Topological Polar Surface Area | 100.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.98102 |
| Heavy Atoms | 13 |
| Complexity | 438.09277 |
Chemical Identifiers
| CAS Number | 30904-40-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-] |
Product Overview
3-Nitrobenzenesulfonate (CAS 30904-40-6), with molecular formula C6H4NO5S- and molecular weight 201.98 g/mol. IUPAC: 3-nitrobenzenesulfonate.
Chemical Property Profile of 3-Nitrobenzenesulfonate
Property Insights of 3-Nitrobenzenesulfonate
The XLogP value of 0.4989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzenesulfonate. The TPSA of 100.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzenesulfonate. Following Lipinski's Rule of Five, 3-Nitrobenzenesulfonate 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-Nitrobenzenesulfonate?
The CAS number of 3-Nitrobenzenesulfonate is 30904-40-6.
What is the molecular formula of 3-Nitrobenzenesulfonate?
The molecular formula of 3-Nitrobenzenesulfonate is C6H4NO5S-.
What is the molecular weight of 3-Nitrobenzenesulfonate?
The molecular weight of 3-Nitrobenzenesulfonate is 201.98 g/mol.
Where can I buy 3-Nitrobenzenesulfonate?
You can request a quote for 3-Nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.