![[6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate structure](/static/products/604/6047-71-8.png)
[6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate
TL;DR: [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate (CAS 6047-71-8) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate
Also Known As: ChemDiv1_005992, BIM-0042356.P001, [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate, AH-262/33701010, 7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.14394 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 1128.519 |
Chemical Identifiers
| CAS Number | 6047-71-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)OC(=O)C)COC(=O)C)[N+](=O)[O-])C |
Product Overview
[6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate (CAS 6047-71-8), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: [6-acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate.
Chemical Property Profile of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate
Property Insights of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate
The XLogP value of 4.14394 indicates that [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate. Following Lipinski's Rule of Five, [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate has 0 hydrogen bond donor(s) and 6 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 [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate?
The CAS number of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate is 6047-71-8.
What is the molecular formula of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate?
The molecular formula of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate is C21H20N2O6.
What is the molecular weight of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate?
The molecular weight of [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate is 396.13 g/mol.
Where can I buy [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate?
You can request a quote for [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [6-Acetyloxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.