Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-
TL;DR: Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- (CAS 10022-76-1) is a chemical compound with molecular formula C18H18N2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]-2-phenylethanethioamide
Also Known As: N-(2-(3-Indolyl)ethyl)-2-phenylthioacetamide, Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-, N-(2-(1H-Indol-3-yl)ethyl)benzeneethanethioamide, 5-22-10-00082 (Beilstein Handbook Reference), N-[2-(1H-Indol-3-yl)ethyl](phenyl)ethanethioamide
| Molecular Formula | C18H18N2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 3.8701 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11908 |
| Heavy Atoms | 21 |
| Complexity | 731.0728 |
Chemical Identifiers
| CAS Number | 10022-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- (CAS 10022-76-1), with molecular formula C18H18N2S and molecular weight 294.12 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-2-phenylethanethioamide.
Chemical Property Profile of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-
Property Insights of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-
The XLogP value of 3.8701 indicates that Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.82 Ų, Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- has 2 hydrogen bond donor(s) and 1 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 Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The CAS number of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- is 10022-76-1.
What is the molecular formula of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular formula of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- is C18H18N2S.
What is the molecular weight of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular weight of Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- is 294.12 g/mol.
Where can I buy Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-?
You can request a quote for Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.