2-(1-Methyl-3-methylthioindol-2-yl)acetic acid
TL;DR: 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid (CAS 57666-07-6) 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-methyl-3-methylsulfanylindol-2-yl)acetic acid
Also Known As: ZERO/004595, 2-(1-Methyl-3-(methylthio)-1H-indol-2-yl)acetic acid, 1-methyl-3-methylthio-2-indolylacetic acid, 2-(1-methyl-3-methylthioindol-2-yl)acetic acid, 2-(1-methyl-3-methylsulfanylindol-2-yl)acetic acid
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 57666-07-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CC(=O)O)SC |
| InChIKey | WQWDWRNNBRSVMJ-UHFFFAOYSA-N |
Product Overview
2-(1-Methyl-3-methylthioindol-2-yl)acetic acid (CAS 57666-07-6), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 2-(1-methyl-3-methylsulfanylindol-2-yl)acetic acid.
Chemical Property Profile of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid
Property Insights of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid has 1 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-Methyl-3-methylthioindol-2-yl)acetic acid?
The CAS number of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid is 57666-07-6.
What is the molecular formula of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid?
The molecular formula of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid is C12H13NO2S.
What is the molecular weight of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid?
The molecular weight of 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid is 235.07 g/mol.
Where can I buy 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid?
You can request a quote for 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-3-methylthioindol-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.