1-Acetoxyindole
TL;DR: 1-Acetoxyindole (CAS 54698-12-3) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
indol-1-yl acetate
Also Known As: 1-Acetoxyindole, indol-1-yl acetate, indoleactate, Indolylacetate, 1-Acetyloxyindole
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 54698-12-3 |
|---|---|
| SMILES | CC(=O)ON1C=CC2=CC=CC=C21 |
| InChIKey | OFTUKEVRNXJIOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetoxyindole (CAS 54698-12-3), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: indol-1-yl acetate.
Chemical Property Profile of 1-Acetoxyindole
Property Insights of 1-Acetoxyindole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoxyindole. With a topological polar surface area (TPSA) of 31.2 Ų, 1-Acetoxyindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxyindole has 0 hydrogen bond donor(s) and 2 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 1-Acetoxyindole?
The CAS number of 1-Acetoxyindole is 54698-12-3.
What is the molecular formula of 1-Acetoxyindole?
The molecular formula of 1-Acetoxyindole is C10H9NO2.
What is the molecular weight of 1-Acetoxyindole?
The molecular weight of 1-Acetoxyindole is 175.06 g/mol.
Where can I buy 1-Acetoxyindole?
You can request a quote for 1-Acetoxyindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxyindole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxyindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.