![3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole structure](/static/products/3803/380352-24-9.webp)
3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole
TL;DR: 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole (CAS 380352-24-9) is a chemical compound with molecular formula C25H22N2O6 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole
Also Known As: 3-(1-benzo[1,3]dioxol-5-yl-2-nitro-ethyl)-2-(3,4-dimethoxyphenyl)-1H-indole, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole, 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole
| Molecular Formula | C25H22N2O6 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 4.9894 |
| Topological Polar Surface Area | 95.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.1478 |
| Heavy Atoms | 33 |
| Complexity | 1346.2373 |
Chemical Identifiers
| CAS Number | 380352-24-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)OC |
Product Overview
3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole (CAS 380352-24-9), with molecular formula C25H22N2O6 and molecular weight 446.15 g/mol. IUPAC: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole.
Chemical Property Profile of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole
Property Insights of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole
The XLogP value of 4.9894 indicates that 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole. Following Lipinski's Rule of Five, 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole has 1 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 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole?
The CAS number of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole is 380352-24-9.
What is the molecular formula of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole?
The molecular formula of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole is C25H22N2O6.
What is the molecular weight of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole?
The molecular weight of 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole is 446.15 g/mol.
Where can I buy 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole?
You can request a quote for 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(3,4-dimethoxyphenyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.