1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate
TL;DR: 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate (CAS 15174-03-5) is a chemical compound with molecular formula C12H8N2O8S and molecular weight 340.00012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxy-3,5-dinitrophenyl) benzenesulfonate
Also Known As: 4-hydroxy-3,5-dinitrophenyl benzenesulfonate, 4-(benzenesulfonyloxy)-2,6-dinitro-phenol, (4-hydroxy-3,5-dinitrophenyl) benzenesulfonate, 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate, benzenesulfonic acid 4-hydroxy-3,5-dinitro-phenyl ester
Technical Specifications
| Molecular Formula | C12H8N2O8S |
| Molecular Weight | 340.00012 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.00012 Da |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | ZVNDMFZPASSEPP-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate
Property Insights of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate. The TPSA of 164.0 Ų indicates high polarity, suggesting 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate?
The CAS number of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate is 15174-03-5.
What is the molecular formula of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate?
The molecular formula of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate is C12H8N2O8S.
What is the molecular weight of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate?
The molecular weight of 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate is 340.00012 g/mol.
Where can I buy 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate?
You can request a quote for 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenediol, 2,6-dinitro-, 4-benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.