![2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole structure](/static/products/103/1036549-09-3.webp)
2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole
TL;DR: 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole (CAS 1036549-09-3) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole
Also Known As: 2-methyl-3-(2-nitro-1-(p-tolyl)ethyl)-1H-indole, 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole, J2.940.138A, AF-399/12854052, 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]indole
Technical Specifications
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.13684 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.13684 Da |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
| SMILES | CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NC3=CC=CC=C32)C |
| InChIKey | HIYZMZAJJFZTGD-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole
Property Insights of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole
The XLogP value of 4.3 indicates that 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole 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 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole. Following Lipinski's Rule of Five, 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole?
The CAS number of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole is 1036549-09-3.
What is the molecular formula of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole?
The molecular formula of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole is C18H18N2O2.
What is the molecular weight of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole?
The molecular weight of 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole is 294.13684 g/mol.
Where can I buy 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole?
You can request a quote for 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole?
Yes, CoreyChem provides custom synthesis services for 2-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.