(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid
TL;DR: (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid (CAS 406920-62-5) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(1-methylindol-3-yl)-3-phenylpropanoic acid
Also Known As: (S)-3-(1-Methyl-1H-indol-3-yl)-3-phenylpropanoic acid, 3-(1-methylindol-3-yl)-3-phenyl-propanoic Acid, (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid, (3S)-3-(1-methylindol-3-yl)-3-phenylpropanoic acid, (3S)-3-(1-methyl-1H-indol-3-yl)-3-phenylpropanoic acid
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.7849 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 774.27246 |
Chemical Identifiers
| CAS Number | 406920-62-5 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)O)C3=CC=CC=C3 |
Product Overview
(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid (CAS 406920-62-5), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: (3S)-3-(1-methylindol-3-yl)-3-phenylpropanoic acid.
Chemical Property Profile of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid
Property Insights of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid
The XLogP value of 3.7849 indicates that (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid has 1 hydrogen bond donor(s) and 1 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 (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid?
The CAS number of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid is 406920-62-5.
What is the molecular formula of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid?
The molecular formula of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid is C18H17NO2.
What is the molecular weight of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid?
The molecular weight of (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid is 279.13 g/mol.
Where can I buy (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid?
You can request a quote for (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.