![3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole structure](/static/products/7310/731003-77-3.webp)
3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole
TL;DR: 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole (CAS 731003-77-3) is a chemical compound with molecular formula C16H12ClFN2O2 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole
Also Known As: 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole, 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]indole, 3-(1-(2-chloro-6-fluorophenyl)-2-nitroethyl)-1H-indole
| Molecular Formula | C16H12ClFN2O2 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 4.369 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.05713 |
| Heavy Atoms | 22 |
| Complexity | 826.783 |
Chemical Identifiers
| CAS Number | 731003-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C3=C(C=CC=C3Cl)F |
Product Overview
3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole (CAS 731003-77-3), with molecular formula C16H12ClFN2O2 and molecular weight 318.06 g/mol. IUPAC: 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole.
Chemical Property Profile of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole
Property Insights of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole
The XLogP value of 4.369 indicates that 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.93 Ų, 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole has 1 hydrogen bond donor(s) and 2 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-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole?
The CAS number of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole is 731003-77-3.
What is the molecular formula of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole?
The molecular formula of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole is C16H12ClFN2O2.
What is the molecular weight of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole?
The molecular weight of 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole is 318.06 g/mol.
Where can I buy 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole?
You can request a quote for 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-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-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2-chloro-6-fluorophenyl)-2-nitroethyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.