Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-
TL;DR: Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- (CAS 61638-05-9) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethoxy-2-methylsulfanyl-5-(2-nitroprop-1-enyl)benzene
Also Known As: Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-, 1,4-dimethoxy-2-methylsulfanyl-5-(2-nitroprop-1-enyl)benzene, 1,4-DIMETHOXY-2-(METHYLSULFANYL)-5-(2-NITROPROP-1-EN-1-YL)BENZENE
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 61638-05-9 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1OC)SC)OC)[N+](=O)[O-] |
| InChIKey | ZEZKFCRNWMIAEN-UHFFFAOYSA-N |
Product Overview
Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- (CAS 61638-05-9), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: 1,4-dimethoxy-2-methylsulfanyl-5-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-
Property Insights of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-
The XLogP value of 3.0 indicates that Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- 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-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-. Following Lipinski's Rule of Five, Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- 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-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-?
The CAS number of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- is 61638-05-9.
What is the molecular formula of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-?
The molecular formula of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- is C12H15NO4S.
What is the molecular weight of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-?
The molecular weight of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- is 269.07 g/mol.
Where can I buy Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-?
You can request a quote for Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- 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-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.