3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate
TL;DR: 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate (CAS 147591-49-9) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-yl] acetate
Also Known As: 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate, AH-262/34226053, [1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-yl] acetate, 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-yl acetate
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 147591-49-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=C(C=C2)OC(=O)C)[N+](=O)[O-] |
| InChIKey | YVNCEZJUHBFJEB-UHFFFAOYSA-N |
Product Overview
3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate (CAS 147591-49-9), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: [1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-yl] acetate.
Chemical Property Profile of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate
Property Insights of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate
The XLogP value of 3.6 indicates that 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate. Following Lipinski's Rule of Five, 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate 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 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate?
The CAS number of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate is 147591-49-9.
What is the molecular formula of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate?
The molecular formula of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate is C18H16N2O5.
What is the molecular weight of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate?
The molecular weight of 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate is 340.11 g/mol.
Where can I buy 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate?
You can request a quote for 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-1-(4-methoxyphenyl)-2-methyl-1H-indol-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.