(2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid
TL;DR: (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid (CAS 858232-72-1) 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-(1-methylindol-3-yl)prop-2-enoic acid
Also Known As: (E)-3-(1-METHYL-1H-INDOL-3-YL)ACRYLIC ACID, 3-(1-methyl-1h-indol-3-yl)prop-2-enoic acid, 1-Methyl-1H-indole-3-acrylic acid, (2E)-3-(1-methyl-1H-indol-3-yl)acrylic acid, (E)-3-(1-methylindol-3-yl)prop-2-enoic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.2761 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 537.5457 |
Chemical Identifiers
| CAS Number | 858232-72-1 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C/C(=O)O |
Product Overview
(2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid (CAS 858232-72-1), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: (E)-3-(1-methylindol-3-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid
Property Insights of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid
The XLogP value of 2.2761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 42.23 Ų, (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic 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 (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid is 858232-72-1.
What is the molecular formula of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid is C12H11NO2.
What is the molecular weight of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid is 201.08 g/mol.
Where can I buy (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1-methyl-1H-indol-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.