Phenyl o-nitrobenzenesulphonate
TL;DR: Phenyl o-nitrobenzenesulphonate (CAS 41480-05-1) is a chemical compound with molecular formula C12H9NO5S and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-nitrobenzenesulfonate
Also Known As: phenyl 2-nitrobenzenesulfonate, Phenyl o-nitrobenzenesulphonate, phenylo-nitrobenzenesulphonate, phenyl 2-nitrobenzene-1-sulfonate, Phenyl 2-nitrobenzene sulfonate
| Molecular Formula | C12H9NO5S |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.02014 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 41480-05-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | PAWIDEIFQKJVBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl o-nitrobenzenesulphonate (CAS 41480-05-1), with molecular formula C12H9NO5S and molecular weight 279.02 g/mol. IUPAC: phenyl 2-nitrobenzenesulfonate.
Chemical Property Profile of Phenyl o-nitrobenzenesulphonate
Property Insights of Phenyl o-nitrobenzenesulphonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl o-nitrobenzenesulphonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl o-nitrobenzenesulphonate. Following Lipinski's Rule of Five, Phenyl o-nitrobenzenesulphonate 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 Phenyl o-nitrobenzenesulphonate?
The CAS number of Phenyl o-nitrobenzenesulphonate is 41480-05-1.
What is the molecular formula of Phenyl o-nitrobenzenesulphonate?
The molecular formula of Phenyl o-nitrobenzenesulphonate is C12H9NO5S.
What is the molecular weight of Phenyl o-nitrobenzenesulphonate?
The molecular weight of Phenyl o-nitrobenzenesulphonate is 279.02 g/mol.
Where can I buy Phenyl o-nitrobenzenesulphonate?
You can request a quote for Phenyl o-nitrobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl o-nitrobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl o-nitrobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.