1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene
TL;DR: 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene (CAS 85896-13-5) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
Also Known As: 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene, EINECS 288-791-0, 1,4-dimethoxy-5-nitro-2- benzene, BAS 00328951, 1,4-dimethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzene
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.07162 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 655.4683 |
Chemical Identifiers
| CAS Number | 85896-13-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+](=O)[O-])OC |
Product Overview
1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene (CAS 85896-13-5), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: 1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene.
Chemical Property Profile of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene
Property Insights of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene
The XLogP value of 4.07162 indicates that 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene. Following Lipinski's Rule of Five, 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene 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 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene?
The CAS number of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene is 85896-13-5.
What is the molecular formula of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene?
The molecular formula of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene is C15H15NO4S.
What is the molecular weight of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene?
The molecular weight of 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene is 305.07 g/mol.
Where can I buy 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene?
You can request a quote for 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.