![Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- structure](/static/products/6840/68400-47-5.webp)
Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-
TL;DR: Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- (CAS 68400-47-5) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
Also Known As: (2,5-Diethoxy-4-nitrophenyl)(p-tolyl)sulfane, 4-p-Tolylmercapto-2,5-diethoxynitrobenzene, 1,4-diethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene, 1,4-Diethoxy-2-((4-methylphenyl)thio)-5-nitrobenzene
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 68400-47-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1[N+](=O)[O-])OCC)SC2=CC=C(C=C2)C |
| InChIKey | JRKVBFFPQZNRRC-UHFFFAOYSA-N |
Product Overview
Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- (CAS 68400-47-5), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: 1,4-diethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene.
Chemical Property Profile of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-
Property Insights of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-
The XLogP value of 4.9 indicates that Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-. Following Lipinski's Rule of Five, Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- 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 Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-?
The CAS number of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- is 68400-47-5.
What is the molecular formula of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-?
The molecular formula of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- is C17H19NO4S.
What is the molecular weight of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-?
The molecular weight of Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- is 333.10 g/mol.
Where can I buy Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-?
You can request a quote for Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.