2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone
TL;DR: 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone (CAS 681273-49-4) is a chemical compound with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylindol-3-yl)sulfanyl-1-morpholin-4-ylethanone
Also Known As: IFLab1_002431, 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone, AB00490434-03, 2-(1-benzylindol-3-yl)sulfanyl-1-morpholin-4-ylethanone, F0545-0019
| Molecular Formula | C21H22N2O2S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 3.6405 |
| Topological Polar Surface Area | 34.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.1402 |
| Heavy Atoms | 26 |
| Complexity | 885.4223 |
Chemical Identifiers
| CAS Number | 681273-49-4 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 |
Product Overview
2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone (CAS 681273-49-4), with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol. IUPAC: 2-(1-benzylindol-3-yl)sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone
Property Insights of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone
The XLogP value of 3.6405 indicates that 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.47 Ų, 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone has 0 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 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone is 681273-49-4.
What is the molecular formula of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone is C21H22N2O2S.
What is the molecular weight of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone is 366.14 g/mol.
Where can I buy 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-indol-3-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.