2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide
TL;DR: 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide (CAS 877658-38-3) is a chemical compound with molecular formula C21H24N2OS and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide
Also Known As: ChemDiv3_012543, 2-[3-(benzylsulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide, 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide, 2-(3-(benzylthio)-1H-indol-1-yl)-N,N-diethylacetamide, BRD-K86415917-001-01-2
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.802 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 837.48315 |
Chemical Identifiers
| CAS Number | 877658-38-3 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)SCC3=CC=CC=C3 |
Product Overview
2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide (CAS 877658-38-3), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide.
Chemical Property Profile of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide
Property Insights of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide
The XLogP value of 4.802 indicates that 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 2 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 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide?
The CAS number of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide is 877658-38-3.
What is the molecular formula of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide?
The molecular formula of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide is C21H24N2OS.
What is the molecular weight of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide?
The molecular weight of 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide is 352.16 g/mol.
Where can I buy 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide?
You can request a quote for 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzylsulfanylindol-1-yl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.