4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
TL;DR: 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 532973-54-9) is a chemical compound with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-nitrobenzamide
Also Known As: F0554-0478, 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide, 4-nitro-N-[2-(3-{[(phenylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide, N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-nitrobenzamide, 4-nitro-N-[2-[3-(phenylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]benzamide
| Molecular Formula | C25H22N4O4S |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 4.7103 |
| Topological Polar Surface Area | 106.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.13617 |
| Heavy Atoms | 34 |
| Complexity | 1320.0205 |
Chemical Identifiers
| CAS Number | 532973-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide (CAS 532973-54-9), with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol. IUPAC: N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-nitrobenzamide.
Chemical Property Profile of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
Property Insights of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide
The XLogP value of 4.7103 indicates that 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide has 2 hydrogen bond donor(s) and 5 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-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The CAS number of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 532973-54-9.
What is the molecular formula of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular formula of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is C25H22N4O4S.
What is the molecular weight of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
The molecular weight of 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide is 474.14 g/mol.
Where can I buy 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
You can request a quote for 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(2-(3-((2-oxo-2-(phenylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.