1-Hexylsulfonyl-2,4-dinitrobenzene
TL;DR: 1-Hexylsulfonyl-2,4-dinitrobenzene (CAS 846-15-1) is a chemical compound with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylsulfonyl-2,4-dinitrobenzene
Also Known As: 1-hexylsulfonyl-2,4-dinitrobenzene, BENZENE,1-(HEXYLSULFONYL)-2,4-DINITRO-, 1-(HEXANE-1-SULFONYL)-2,4-DINITROBENZENE
| Molecular Formula | C12H16N2O6S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.0729 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 846-15-1 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MDSHUGGZYDLPLT-UHFFFAOYSA-N |
Product Overview
1-Hexylsulfonyl-2,4-dinitrobenzene (CAS 846-15-1), with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol. IUPAC: 1-hexylsulfonyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Hexylsulfonyl-2,4-dinitrobenzene
Property Insights of 1-Hexylsulfonyl-2,4-dinitrobenzene
The XLogP value of 3.9 indicates that 1-Hexylsulfonyl-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexylsulfonyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Hexylsulfonyl-2,4-dinitrobenzene 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 1-Hexylsulfonyl-2,4-dinitrobenzene?
The CAS number of 1-Hexylsulfonyl-2,4-dinitrobenzene is 846-15-1.
What is the molecular formula of 1-Hexylsulfonyl-2,4-dinitrobenzene?
The molecular formula of 1-Hexylsulfonyl-2,4-dinitrobenzene is C12H16N2O6S.
What is the molecular weight of 1-Hexylsulfonyl-2,4-dinitrobenzene?
The molecular weight of 1-Hexylsulfonyl-2,4-dinitrobenzene is 316.07 g/mol.
Where can I buy 1-Hexylsulfonyl-2,4-dinitrobenzene?
You can request a quote for 1-Hexylsulfonyl-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-Hexylsulfonyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexylsulfonyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.