N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
TL;DR: N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide (CAS 862826-38-8) is a chemical compound with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide
Also Known As: F0617-0326, N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide, N-[2-(3-{[(benzylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-nitrobenzamide, N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide, N-[2-[3-(benzylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]-4-nitro-benzamide
| Molecular Formula | C26H24N4O4S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 4.388 |
| Topological Polar Surface Area | 106.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.15182 |
| Heavy Atoms | 35 |
| Complexity | 1336.7429 |
Chemical Identifiers
| CAS Number | 862826-38-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide (CAS 862826-38-8), with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol. IUPAC: N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide.
Chemical Property Profile of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
Property Insights of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
The XLogP value of 4.388 indicates that N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide 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 N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide 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 N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The CAS number of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is 862826-38-8.
What is the molecular formula of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The molecular formula of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is C26H24N4O4S.
What is the molecular weight of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The molecular weight of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is 488.15 g/mol.
Where can I buy N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
You can request a quote for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.