Indole-3beta-acrylic acid
TL;DR: Indole-3beta-acrylic acid (CAS 29953-72-8) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1H-indol-3-yl)prop-2-enoic acid
Also Known As: Indoleacrylic acid, 3-Indoleacrylic acid, 3-Indolylacrylic acid, INDOLE-3-ACRYLIC ACID, 2-beta-indoleacrylic acid
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.2657 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 496.71176 |
Chemical Identifiers
| CAS Number | 29953-72-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O |
Product Overview
Indole-3beta-acrylic acid (CAS 29953-72-8), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: (Z)-3-(1H-indol-3-yl)prop-2-enoic acid.
Chemical Property Profile of Indole-3beta-acrylic acid
Property Insights of Indole-3beta-acrylic acid
The XLogP value of 2.2657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3beta-acrylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, Indole-3beta-acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3beta-acrylic 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 Indole-3beta-acrylic acid?
The CAS number of Indole-3beta-acrylic acid is 29953-72-8.
What is the molecular formula of Indole-3beta-acrylic acid?
The molecular formula of Indole-3beta-acrylic acid is C11H9NO2.
What is the molecular weight of Indole-3beta-acrylic acid?
The molecular weight of Indole-3beta-acrylic acid is 187.06 g/mol.
Where can I buy Indole-3beta-acrylic acid?
You can request a quote for Indole-3beta-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3beta-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for Indole-3beta-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.