![[1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid structure](/static/products/296/296245-95-9.png)
[1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
TL;DR: [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid (CAS 296245-95-9) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-3-methylsulfanylindol-2-yl)acetic acid
Also Known As: BAS 01508504, NCI60_040573, [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid, 2-(1-benzyl-3-methylsulfanylindol-2-yl)acetic acid, Acetic acid, 2-(1-benzyl-3-methylthio-2-indolyl)-
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 296245-95-9 |
|---|---|
| SMILES | CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O |
| InChIKey | ZNRFHFNEYSLUQB-UHFFFAOYSA-N |
Product Overview
[1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid (CAS 296245-95-9), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 2-(1-benzyl-3-methylsulfanylindol-2-yl)acetic acid.
Chemical Property Profile of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
Property Insights of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
The XLogP value of 3.6 indicates that [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid. Following Lipinski's Rule of Five, [1-Benzyl-3-(methylsulfanyl)-1H-indol-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 [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid?
The CAS number of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid is 296245-95-9.
What is the molecular formula of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid?
The molecular formula of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid is C18H17NO2S.
What is the molecular weight of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid?
The molecular weight of [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid is 311.10 g/mol.
Where can I buy [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid?
You can request a quote for [1-Benzyl-3-(methylsulfanyl)-1H-indol-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 [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.