1-Acetyl-1H-indol-3-yl acetate
TL;DR: 1-Acetyl-1H-indol-3-yl acetate (CAS 16870-70-5) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetylindol-3-yl) acetate
Also Known As: 1-Acetyl-1H-indol-3-yl acetate, 1,3-Diacetoxyindole, N-Acetyl-3-acetoxyindole, Indoxyl 1,3-diacetate, (1-acetylindol-3-yl) acetate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 16870-70-5 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)OC(=O)C |
| InChIKey | DNVFBLDIZKYQPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-1H-indol-3-yl acetate (CAS 16870-70-5), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: (1-acetylindol-3-yl) acetate.
Chemical Property Profile of 1-Acetyl-1H-indol-3-yl acetate
Property Insights of 1-Acetyl-1H-indol-3-yl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-1H-indol-3-yl acetate. With a topological polar surface area (TPSA) of 48.3 Ų, 1-Acetyl-1H-indol-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-1H-indol-3-yl acetate 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 1-Acetyl-1H-indol-3-yl acetate?
The CAS number of 1-Acetyl-1H-indol-3-yl acetate is 16870-70-5.
What is the molecular formula of 1-Acetyl-1H-indol-3-yl acetate?
The molecular formula of 1-Acetyl-1H-indol-3-yl acetate is C12H11NO3.
What is the molecular weight of 1-Acetyl-1H-indol-3-yl acetate?
The molecular weight of 1-Acetyl-1H-indol-3-yl acetate is 217.07 g/mol.
Where can I buy 1-Acetyl-1H-indol-3-yl acetate?
You can request a quote for 1-Acetyl-1H-indol-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-1H-indol-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-1H-indol-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.