Ethyl 2,4-dinitrobenzenesulfonate
TL;DR: Ethyl 2,4-dinitrobenzenesulfonate (CAS 32111-07-2) is a chemical compound with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dinitrobenzenesulfonate
Also Known As: ethyl 2,4-dinitrobenzenesulfonate, Ethyl 2,4-dinitrobenzene-1-sulfonate, 2,4-Dinitro-benzolsulfonsaeure-aethylester, Benzenesulfonic acid,2,4-dinitro-, ethyl ester
| Molecular Formula | C8H8N2O7S |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.00522 |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 32111-07-2 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OXYBWFDZZUOBPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dinitrobenzenesulfonate (CAS 32111-07-2), with molecular formula C8H8N2O7S and molecular weight 276.01 g/mol. IUPAC: ethyl 2,4-dinitrobenzenesulfonate.
Chemical Property Profile of Ethyl 2,4-dinitrobenzenesulfonate
Property Insights of Ethyl 2,4-dinitrobenzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dinitrobenzenesulfonate. The TPSA of 143.0 Ų indicates high polarity, suggesting Ethyl 2,4-dinitrobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2,4-dinitrobenzenesulfonate?
The CAS number of Ethyl 2,4-dinitrobenzenesulfonate is 32111-07-2.
What is the molecular formula of Ethyl 2,4-dinitrobenzenesulfonate?
The molecular formula of Ethyl 2,4-dinitrobenzenesulfonate is C8H8N2O7S.
What is the molecular weight of Ethyl 2,4-dinitrobenzenesulfonate?
The molecular weight of Ethyl 2,4-dinitrobenzenesulfonate is 276.01 g/mol.
Where can I buy Ethyl 2,4-dinitrobenzenesulfonate?
You can request a quote for Ethyl 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 Ethyl 2,4-dinitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dinitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.