![4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide structure](/static/products/6875/687571-36-4.webp)
4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
TL;DR: 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide (CAS 687571-36-4) is a chemical compound with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
Also Known As: 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide, N-(2-((1H-indol-3-yl)thio)ethyl)-4-chloro-3-nitrobenzamide, F0582-0076
| Molecular Formula | C17H14ClN3O3S |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | 4.2516 |
| Topological Polar Surface Area | 88.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.04443 |
| Heavy Atoms | 25 |
| Complexity | 941.7877 |
Chemical Identifiers
| CAS Number | 687571-36-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)SCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide (CAS 687571-36-4), with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol. IUPAC: 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
Property Insights of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
The XLogP value of 4.2516 indicates that 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide has 2 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 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide?
The CAS number of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide is 687571-36-4.
What is the molecular formula of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide?
The molecular formula of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide is C17H14ClN3O3S.
What is the molecular weight of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide?
The molecular weight of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide is 375.04 g/mol.
Where can I buy 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide?
You can request a quote for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.