1H-Indole-3-acetic acid, 1-acetyl-, methyl ester
TL;DR: 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester (CAS 55191-22-5) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-acetylindol-3-yl)acetate
Also Known As: 1-Acetyl-3-indolyl-acetat, methyl 2-(1-acetylindol-3-yl)acetate, 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester, Methyl (1-acetyl-1H-indol-3-yl)acetate, 1-Acetyl-1H-indole-3-acetic acid methyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 55191-22-5 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)CC(=O)OC |
| InChIKey | SRIBLLYYOKTWMS-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-acetic acid, 1-acetyl-, methyl ester (CAS 55191-22-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: methyl 2-(1-acetylindol-3-yl)acetate.
Chemical Property Profile of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester
Property Insights of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester. With a topological polar surface area (TPSA) of 48.3 Ų, 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester has 0 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 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester?
The CAS number of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester is 55191-22-5.
What is the molecular formula of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester?
The molecular formula of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester is C13H13NO3.
What is the molecular weight of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester?
The molecular weight of 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester is 231.09 g/mol.
Where can I buy 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester?
You can request a quote for 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetic acid, 1-acetyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.