![3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole structure](/static/products/3013/301313-28-0.webp)
3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole
TL;DR: 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole (CAS 301313-28-0) is a chemical compound with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole
Also Known As: AF-399/12854057, 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole, 3-[1-(7-chloro-1,3-dioxaindan-5-yl)-2-nitroethyl]-2-methyl-1H-indole, 3-{1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl}-2-methyl-1H-indole, 4-chloro-6-[1-(2-methylindol-3-yl)-2-nitroethyl]-2H-benzo[d]1,3-dioxolane
| Molecular Formula | C18H15ClN2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 4.26702 |
| Topological Polar Surface Area | 77.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07202 |
| Heavy Atoms | 25 |
| Complexity | 982.6117 |
Chemical Identifiers
| CAS Number | 301313-28-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C3=CC4=C(C(=C3)Cl)OCO4 |
Product Overview
3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole (CAS 301313-28-0), with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol. IUPAC: 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole.
Chemical Property Profile of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole
Property Insights of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole
The XLogP value of 4.26702 indicates that 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-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-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole. Following Lipinski's Rule of Five, 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole has 1 hydrogen bond donor(s) and 4 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-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole?
The CAS number of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole is 301313-28-0.
What is the molecular formula of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole?
The molecular formula of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole is C18H15ClN2O4.
What is the molecular weight of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole?
The molecular weight of 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole is 358.07 g/mol.
Where can I buy 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole?
You can request a quote for 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-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-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(7-chloro-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-methyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.