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1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene
TL;DR: 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene (CAS 2394-05-0) is a chemical compound with molecular formula C13H10N2O8S2 and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene
Also Known As: 1,1'-(Methylenedisulfonyl)bis(4-nitrobenzene), 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene, 1-NITRO-4-({[(4-NITROPHENYL)SULFONYL]METHYL}SULFONYL)BENZENE
| Molecular Formula | C13H10N2O8S2 |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98785 |
| Heavy Atoms | 25 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 2394-05-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SJDXYOYRYMRMMK-UHFFFAOYSA-N |
Product Overview
1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene (CAS 2394-05-0), with molecular formula C13H10N2O8S2 and molecular weight 385.99 g/mol. IUPAC: 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene.
Chemical Property Profile of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene
Property Insights of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene. The TPSA of 177.0 Ų indicates high polarity, suggesting 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene has 0 hydrogen bond donor(s) and 8 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-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene?
The CAS number of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene is 2394-05-0.
What is the molecular formula of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene?
The molecular formula of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene is C13H10N2O8S2.
What is the molecular weight of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene?
The molecular weight of 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene is 385.99 g/mol.
Where can I buy 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene?
You can request a quote for 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-({[(4-nitrophenyl)sulfonyl]methyl}sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.