![4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide structure](/static/products/6875/687574-82-9.webp)
4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
TL;DR: 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide (CAS 687574-82-9) is a chemical compound with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-nitrobenzamide
Also Known As: 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide, F0582-0176, 4-chloro-N-(2-((2-methyl-1H-indol-3-yl)thio)ethyl)-3-nitrobenzamide, 4-chloro-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-nitrobenzamide
| Molecular Formula | C18H16ClN3O3S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.56002 |
| Topological Polar Surface Area | 88.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0601 |
| Heavy Atoms | 26 |
| Complexity | 986.9718 |
Chemical Identifiers
| CAS Number | 687574-82-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide (CAS 687574-82-9), with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol. IUPAC: 4-chloro-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
Property Insights of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide
The XLogP value of 4.56002 indicates that 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]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-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]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-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide?
The CAS number of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide is 687574-82-9.
What is the molecular formula of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide?
The molecular formula of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide is C18H16ClN3O3S.
What is the molecular weight of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide?
The molecular weight of 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide is 389.06 g/mol.
Where can I buy 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide?
You can request a quote for 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]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-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.