![S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate structure](/static/products/3589/35891-40-8.webp)
S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
TL;DR: S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate (CAS 35891-40-8) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate
Also Known As: 1-acetyl-3-(1-acetylthio-2-nitroethyl)indole, S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate, S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate, S-{1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl} ethanethioate, AI-981/36563023
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.8989 |
| Topological Polar Surface Area | 82.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 706.83234 |
Chemical Identifiers
| CAS Number | 35891-40-8 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SC(=O)C |
Product Overview
S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate (CAS 35891-40-8), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate.
Chemical Property Profile of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
Property Insights of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate
The XLogP value of 2.8989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate. The TPSA of 82.21 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate. Following Lipinski's Rule of Five, S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate has 0 hydrogen bond donor(s) and 5 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 S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The CAS number of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate is 35891-40-8.
What is the molecular formula of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The molecular formula of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate is C14H14N2O4S.
What is the molecular weight of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate?
The molecular weight of S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate is 306.07 g/mol.
Where can I buy S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate?
You can request a quote for S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.