1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
TL;DR: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone (CAS 55099-13-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
Also Known As: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone, 3-acetyl-4,7-dimethoxy-1H-indole, 1-(4,7-Dimethoxy-1H-indol-3-yl)ethan-1-one
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 55099-13-3 |
|---|---|
| SMILES | CC(=O)C1=CNC2=C(C=CC(=C12)OC)OC |
| InChIKey | OHNQKWHMYCDCRG-UHFFFAOYSA-N |
Product Overview
1-(4,7-dimethoxy-1H-indol-3-yl)ethanone (CAS 55099-13-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone.
Chemical Property Profile of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
Property Insights of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone. With a topological polar surface area (TPSA) of 51.3 Ų, 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone has 1 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-(4,7-dimethoxy-1H-indol-3-yl)ethanone?
The CAS number of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone is 55099-13-3.
What is the molecular formula of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone?
The molecular formula of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone is C12H13NO3.
What is the molecular weight of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone?
The molecular weight of 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone is 219.09 g/mol.
Where can I buy 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone?
You can request a quote for 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.