(1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid
TL;DR: (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid (CAS 883539-49-9) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylindol-3-yl)sulfanylacetic acid
Also Known As: (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid, -ACETICACID, 2-(1-ethylindol-3-yl)sulfanylacetic acid, 2-((1-Ethyl-1H-indol-3-yl)thio)acetic acid, CHEMBRDG-BB 6859929
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.8379 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 518.71313 |
Chemical Identifiers
| CAS Number | 883539-49-9 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)SCC(=O)O |
Product Overview
(1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid (CAS 883539-49-9), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 2-(1-ethylindol-3-yl)sulfanylacetic acid.
Chemical Property Profile of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid
Property Insights of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid
The XLogP value of 2.8379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid. With a topological polar surface area (TPSA) of 42.23 Ų, (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid has 1 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 (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid?
The CAS number of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid is 883539-49-9.
What is the molecular formula of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid?
The molecular formula of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid is C12H13NO2S.
What is the molecular weight of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid?
The molecular weight of (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid is 235.07 g/mol.
Where can I buy (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid?
You can request a quote for (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1-Ethyl-1H-indol-3-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.