(2,4-Dinitrophenyl) benzenesulfonate
TL;DR: (2,4-Dinitrophenyl) benzenesulfonate (CAS 970-88-7) 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.
(2,4-dinitrophenyl) benzenesulfonate
Also Known As: (2,4-dinitrophenyl) benzenesulfonate, 2,4-dinitrophenyl benzenesulfonate, (2,4-Dinitrophenoxysulfonyl)benzene, benzenosulfonate 2,4-dinitrophenyl ester, Benzenesulfonic acid 2,4-dinitrophenyl ester
| Molecular Formula | C12H8N2O7S |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.00522 |
| Heavy Atoms | 22 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 970-88-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OEMPBNBMDDYLPZ-UHFFFAOYSA-N |
Product Overview
(2,4-Dinitrophenyl) benzenesulfonate (CAS 970-88-7), with molecular formula C12H8N2O7S and molecular weight 324.01 g/mol. IUPAC: (2,4-dinitrophenyl) benzenesulfonate.
Chemical Property Profile of (2,4-Dinitrophenyl) benzenesulfonate
Property Insights of (2,4-Dinitrophenyl) benzenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dinitrophenyl) benzenesulfonate. The TPSA of 143.0 Ų indicates high polarity, suggesting (2,4-Dinitrophenyl) benzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-Dinitrophenyl) benzenesulfonate 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 (2,4-Dinitrophenyl) benzenesulfonate?
The CAS number of (2,4-Dinitrophenyl) benzenesulfonate is 970-88-7.
What is the molecular formula of (2,4-Dinitrophenyl) benzenesulfonate?
The molecular formula of (2,4-Dinitrophenyl) benzenesulfonate is C12H8N2O7S.
What is the molecular weight of (2,4-Dinitrophenyl) benzenesulfonate?
The molecular weight of (2,4-Dinitrophenyl) benzenesulfonate is 324.01 g/mol.
Where can I buy (2,4-Dinitrophenyl) benzenesulfonate?
You can request a quote for (2,4-Dinitrophenyl) benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dinitrophenyl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dinitrophenyl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.