Phenyl 2,4-dinitrobenzenesulfonate
TL;DR: Phenyl 2,4-dinitrobenzenesulfonate (CAS 31283-98-4) is a chemical compound with molecular formula C12H8N2O7S and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,4-dinitrobenzenesulfonate
Also Known As: phenyl 2,4-dinitrobenzenesulfonate, 2,4-dinitro-1-phenoxysulfonyl-benzene, phenyl 2,4-dinitrobenzene-1-sulfonate, 2,4-dinitro-benzenesulfonic acid phenyl ester, 2,4-Dinitrobenzenesulfonic acid phenyl ester
| Molecular Formula | C12H8N2O7S |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 2.2707 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.00522 |
| Heavy Atoms | 22 |
| Complexity | 833.8082 |
Chemical Identifiers
| CAS Number | 31283-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Phenyl 2,4-dinitrobenzenesulfonate (CAS 31283-98-4), with molecular formula C12H8N2O7S and molecular weight 324.01 g/mol. IUPAC: phenyl 2,4-dinitrobenzenesulfonate.
Chemical Property Profile of Phenyl 2,4-dinitrobenzenesulfonate
Property Insights of Phenyl 2,4-dinitrobenzenesulfonate
The XLogP value of 2.2707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2,4-dinitrobenzenesulfonate. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2,4-dinitrobenzenesulfonate. Following Lipinski's Rule of Five, Phenyl 2,4-dinitrobenzenesulfonate has 0 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 Phenyl 2,4-dinitrobenzenesulfonate?
The CAS number of Phenyl 2,4-dinitrobenzenesulfonate is 31283-98-4.
What is the molecular formula of Phenyl 2,4-dinitrobenzenesulfonate?
The molecular formula of Phenyl 2,4-dinitrobenzenesulfonate is C12H8N2O7S.
What is the molecular weight of Phenyl 2,4-dinitrobenzenesulfonate?
The molecular weight of Phenyl 2,4-dinitrobenzenesulfonate is 324.01 g/mol.
Where can I buy Phenyl 2,4-dinitrobenzenesulfonate?
You can request a quote for Phenyl 2,4-dinitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,4-dinitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,4-dinitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.