Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-
TL;DR: Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- (CAS 54010-81-0) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-ethoxyphenyl)-2-nitropropyl]-4-methylbenzene
Also Known As: 1-Ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)benzene, Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-, 1-Ethoxy-4-[1-(4-methylphenyl)-2-nitropropyl]benzene, J1.617.789J, 1-ethoxy-4-(2-nitro-1-(p-tolyl)propyl)benzene
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 54010-81-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(C)[N+](=O)[O-] |
| InChIKey | NFIYHTDQVCRJKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- (CAS 54010-81-0), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 1-[1-(4-ethoxyphenyl)-2-nitropropyl]-4-methylbenzene.
Chemical Property Profile of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-
Property Insights of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-
The XLogP value of 4.6 indicates that Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- has 0 hydrogen bond donor(s) and 3 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-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-?
The CAS number of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- is 54010-81-0.
What is the molecular formula of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-?
The molecular formula of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- is C18H21NO3.
What is the molecular weight of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-?
The molecular weight of Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- is 299.15 g/mol.
Where can I buy Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-?
You can request a quote for Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.