2-Formylphenyl 4-nitrobenzenesulfonate
TL;DR: 2-Formylphenyl 4-nitrobenzenesulfonate (CAS 116748-53-9) is a chemical compound with molecular formula C13H9NO6S and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formylphenyl) 4-nitrobenzenesulfonate
Also Known As: 2-formylphenyl 4-nitrobenzenesulfonate, 2-formylphenyl 4-nitrobenzene-1-sulfonate, (2-formylphenyl) 4-nitrobenzenesulfonate, 2-(4-nitrophenyl)sulfonyloxybenzaldehyde, J1.440.327B
| Molecular Formula | C13H9NO6S |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 2.175 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.01505 |
| Heavy Atoms | 21 |
| Complexity | 782.5637 |
Chemical Identifiers
| CAS Number | 116748-53-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Formylphenyl 4-nitrobenzenesulfonate (CAS 116748-53-9), with molecular formula C13H9NO6S and molecular weight 307.02 g/mol. IUPAC: (2-formylphenyl) 4-nitrobenzenesulfonate.
Chemical Property Profile of 2-Formylphenyl 4-nitrobenzenesulfonate
Property Insights of 2-Formylphenyl 4-nitrobenzenesulfonate
The XLogP value of 2.175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formylphenyl 4-nitrobenzenesulfonate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formylphenyl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Formylphenyl 4-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 6 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-Formylphenyl 4-nitrobenzenesulfonate?
The CAS number of 2-Formylphenyl 4-nitrobenzenesulfonate is 116748-53-9.
What is the molecular formula of 2-Formylphenyl 4-nitrobenzenesulfonate?
The molecular formula of 2-Formylphenyl 4-nitrobenzenesulfonate is C13H9NO6S.
What is the molecular weight of 2-Formylphenyl 4-nitrobenzenesulfonate?
The molecular weight of 2-Formylphenyl 4-nitrobenzenesulfonate is 307.02 g/mol.
Where can I buy 2-Formylphenyl 4-nitrobenzenesulfonate?
You can request a quote for 2-Formylphenyl 4-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formylphenyl 4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Formylphenyl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.