![3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid structure](/static/products/628/628736-73-2.png)
3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid
TL;DR: 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid (CAS 628736-73-2) is a chemical compound with molecular formula C19H19NO3S and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-methoxyphenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid
Also Known As: 3-[(3-methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid, 2-[3-(3-methoxyphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic Acid
| Molecular Formula | C19H19NO3S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 4.50254 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10855 |
| Heavy Atoms | 24 |
| Complexity | 914.3611 |
Chemical Identifiers
| CAS Number | 628736-73-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC(=C3)OC)C)CC(=O)O |
Product Overview
3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid (CAS 628736-73-2), with molecular formula C19H19NO3S and molecular weight 341.11 g/mol. IUPAC: 2-[3-(3-methoxyphenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid.
Chemical Property Profile of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid
Property Insights of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid
The XLogP value of 4.50254 indicates that 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-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 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid?
The CAS number of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid is 628736-73-2.
What is the molecular formula of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid?
The molecular formula of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid is C19H19NO3S.
What is the molecular weight of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid?
The molecular weight of 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid is 341.11 g/mol.
Where can I buy 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid?
You can request a quote for 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Methoxyphenyl)thio]-2,5-dimethyl-1h-indole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.