1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
TL;DR: 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene (CAS 972-48-5) is a chemical compound with molecular formula C13H10N2O7S and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene
Also Known As: 2,4-Dinitro-4'-methoxydiphenylsulfone, 1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene, 2,4-Dinitrophenyl(4-methoxyphenyl) sulfone, 2,4-Dinitrophenyl 4-methoxyphenyl sulfone #, 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
| Molecular Formula | C13H10N2O7S |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.02087 |
| Heavy Atoms | 23 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 972-48-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PMIUVKNSPHHSFH-UHFFFAOYSA-N |
Product Overview
1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene (CAS 972-48-5), with molecular formula C13H10N2O7S and molecular weight 338.02 g/mol. IUPAC: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
Property Insights of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene. The TPSA of 143.0 Ų indicates high polarity, suggesting 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene 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 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene?
The CAS number of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene is 972-48-5.
What is the molecular formula of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene?
The molecular formula of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene is C13H10N2O7S.
What is the molecular weight of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene?
The molecular weight of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene is 338.02 g/mol.
Where can I buy 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene?
You can request a quote for 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.