1-Heptylsulfinyl-2,4-dinitrobenzene
TL;DR: 1-Heptylsulfinyl-2,4-dinitrobenzene (CAS 1036-52-8) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptylsulfinyl-2,4-dinitrobenzene
Also Known As: 1-heptylsulfinyl-2,4-dinitrobenzene, Benzene,1-(heptylsulfinyl)-2,4-dinitro-, 1-(HEPTANE-1-SULFINYL)-2,4-DINITROBENZENE
| Molecular Formula | C13H18N2O5S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.09363 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 1036-52-8 |
|---|---|
| SMILES | CCCCCCCS(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LMTAQTDBPCYZSR-UHFFFAOYSA-N |
Product Overview
1-Heptylsulfinyl-2,4-dinitrobenzene (CAS 1036-52-8), with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol. IUPAC: 1-heptylsulfinyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Heptylsulfinyl-2,4-dinitrobenzene
Property Insights of 1-Heptylsulfinyl-2,4-dinitrobenzene
The XLogP value of 3.5 indicates that 1-Heptylsulfinyl-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptylsulfinyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Heptylsulfinyl-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-Heptylsulfinyl-2,4-dinitrobenzene?
The CAS number of 1-Heptylsulfinyl-2,4-dinitrobenzene is 1036-52-8.
What is the molecular formula of 1-Heptylsulfinyl-2,4-dinitrobenzene?
The molecular formula of 1-Heptylsulfinyl-2,4-dinitrobenzene is C13H18N2O5S.
What is the molecular weight of 1-Heptylsulfinyl-2,4-dinitrobenzene?
The molecular weight of 1-Heptylsulfinyl-2,4-dinitrobenzene is 314.09 g/mol.
Where can I buy 1-Heptylsulfinyl-2,4-dinitrobenzene?
You can request a quote for 1-Heptylsulfinyl-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-Heptylsulfinyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptylsulfinyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.