3-(1H-indol-3-yl)-2-methylacrylic acid
TL;DR: 3-(1H-indol-3-yl)-2-methylacrylic acid (CAS 42924-82-3) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1H-indol-3-yl)-2-methylprop-2-enoic acid
Also Known As: 3-(1H-indol-3-yl)-2-methylacrylic acid, alpha-Methyl-1H-indole-3-acrylic acid, AP-065/41884128, (E)-3-(1H-Indol-3-yl)-2-methylacrylic acid, (E)-3-(1H-indol-3-yl)-2-methylprop-2-enoic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.6558 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 537.3006 |
Chemical Identifiers
| CAS Number | 42924-82-3 |
|---|---|
| SMILES | C/C(=C\C1=CNC2=CC=CC=C21)/C(=O)O |
Product Overview
3-(1H-indol-3-yl)-2-methylacrylic acid (CAS 42924-82-3), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: (E)-3-(1H-indol-3-yl)-2-methylprop-2-enoic acid.
Chemical Property Profile of 3-(1H-indol-3-yl)-2-methylacrylic acid
Property Insights of 3-(1H-indol-3-yl)-2-methylacrylic acid
The XLogP value of 2.6558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)-2-methylacrylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 3-(1H-indol-3-yl)-2-methylacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)-2-methylacrylic acid has 2 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 3-(1H-indol-3-yl)-2-methylacrylic acid?
The CAS number of 3-(1H-indol-3-yl)-2-methylacrylic acid is 42924-82-3.
What is the molecular formula of 3-(1H-indol-3-yl)-2-methylacrylic acid?
The molecular formula of 3-(1H-indol-3-yl)-2-methylacrylic acid is C12H11NO2.
What is the molecular weight of 3-(1H-indol-3-yl)-2-methylacrylic acid?
The molecular weight of 3-(1H-indol-3-yl)-2-methylacrylic acid is 201.08 g/mol.
Where can I buy 3-(1H-indol-3-yl)-2-methylacrylic acid?
You can request a quote for 3-(1H-indol-3-yl)-2-methylacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-yl)-2-methylacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-yl)-2-methylacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.