N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide
TL;DR: N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide (CAS 851715-07-6) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide
Also Known As: F0617-0182, N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide, N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide, N-(2-{3-[(carbamoylmethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,5-dimethylbenzamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.26554 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 974.00543 |
Chemical Identifiers
| CAS Number | 851715-07-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N)C |
Product Overview
N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide (CAS 851715-07-6), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide.
Chemical Property Profile of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide
Property Insights of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide
The XLogP value of 3.26554 indicates that N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide. Following Lipinski's Rule of Five, N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide has 2 hydrogen bond donor(s) and 3 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-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide?
The CAS number of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide is 851715-07-6.
What is the molecular formula of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide?
The molecular formula of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide is C21H23N3O2S.
What is the molecular weight of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide?
The molecular weight of N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide is 381.15 g/mol.
Where can I buy N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide?
You can request a quote for N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide 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-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.