![1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone structure](/static/products/3589/35891-38-4.webp)
1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone
TL;DR: 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone (CAS 35891-38-4) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1-benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone
Also Known As: VU0004505-1, 1-[3-(1-benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone, 1-acetyl-3-[1-(benzylthio)-2-nitroethyl]-1H-indole, AI-981/09942024, 1-{3-[1-(benzylsulfanyl)-2-nitroethyl]-1H-indol-1-yl}ethanone
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.5526 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 905.43304 |
Chemical Identifiers
| CAS Number | 35891-38-4 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCC3=CC=CC=C3 |
Product Overview
1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone (CAS 35891-38-4), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: 1-[3-(1-benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone.
Chemical Property Profile of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone
Property Insights of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone
The XLogP value of 4.5526 indicates that 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone has 0 hydrogen bond donor(s) and 4 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 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone?
The CAS number of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone is 35891-38-4.
What is the molecular formula of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone?
The molecular formula of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone is C19H18N2O3S.
What is the molecular weight of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone?
The molecular weight of 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone is 354.10 g/mol.
Where can I buy 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone?
You can request a quote for 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1-Benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.