Sulfide, 2,4-dinitrophenyl hexyl
TL;DR: Sulfide, 2,4-dinitrophenyl hexyl (CAS 7343-59-1) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylsulfanyl-2,4-dinitrobenzene
Also Known As: Sulfide, 2,4-dinitrophenyl hexyl, 1-hexylsulfanyl-2,4-dinitrobenzene, Sulfide,4-dinitrophenyl hexyl, Sulfide,2,4-dinitrophenyl hexyl, 1-(HEXYLSULFANYL)-2,4-DINITROBENZENE
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 7343-59-1 |
|---|---|
| SMILES | CCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HUXUNDRTPVNFNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfide, 2,4-dinitrophenyl hexyl (CAS 7343-59-1), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 1-hexylsulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of Sulfide, 2,4-dinitrophenyl hexyl
Property Insights of Sulfide, 2,4-dinitrophenyl hexyl
The XLogP value of 4.9 indicates that Sulfide, 2,4-dinitrophenyl hexyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfide, 2,4-dinitrophenyl hexyl. Following Lipinski's Rule of Five, Sulfide, 2,4-dinitrophenyl hexyl has 0 hydrogen bond donor(s) and 5 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 Sulfide, 2,4-dinitrophenyl hexyl?
The CAS number of Sulfide, 2,4-dinitrophenyl hexyl is 7343-59-1.
What is the molecular formula of Sulfide, 2,4-dinitrophenyl hexyl?
The molecular formula of Sulfide, 2,4-dinitrophenyl hexyl is C12H16N2O4S.
What is the molecular weight of Sulfide, 2,4-dinitrophenyl hexyl?
The molecular weight of Sulfide, 2,4-dinitrophenyl hexyl is 284.08 g/mol.
Where can I buy Sulfide, 2,4-dinitrophenyl hexyl?
You can request a quote for Sulfide, 2,4-dinitrophenyl hexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, 2,4-dinitrophenyl hexyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, 2,4-dinitrophenyl hexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.