![3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole structure](/static/products/3803/380352-33-0.webp)
3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole
TL;DR: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole (CAS 380352-33-0) is a chemical compound with molecular formula C23H17ClN2O4 and molecular weight 420.09 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-(4-chlorophenyl)-1H-indole
Also Known As: AF-399/40826288, 3-[1-(1,3-dioxaindan-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole, 3-{1-(1,3-benzodioxol-5-yl)-2-nitroethyl}-2-(4-chlorophenyl)-1H-indole, 5-{1-[2-(4-chlorophenyl)indol-3-yl]-2-nitroethyl}-2H-benzo[d]1,3-dioxolane
| Molecular Formula | C23H17ClN2O4 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 5.6256 |
| Topological Polar Surface Area | 77.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08768 |
| Heavy Atoms | 30 |
| Complexity | 1250.0405 |
Chemical Identifiers
| CAS Number | 380352-33-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl |
Product Overview
3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole (CAS 380352-33-0), with molecular formula C23H17ClN2O4 and molecular weight 420.09 g/mol. IUPAC: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole.
Chemical Property Profile of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole
Property Insights of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole
The XLogP value of 5.6256 indicates that 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole. Following Lipinski's Rule of Five, 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole?
The CAS number of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole is 380352-33-0.
What is the molecular formula of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole?
The molecular formula of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole is C23H17ClN2O4.
What is the molecular weight of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole?
The molecular weight of 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole is 420.09 g/mol.
Where can I buy 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole?
You can request a quote for 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-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-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-chlorophenyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.