1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone
TL;DR: 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone (CAS 552284-22-7) is a chemical compound with molecular formula C21H19NO2 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone
Also Known As: 1-(1-benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone, 1-(1-Benzyl-2-methyl-5-prop-2-ynyloxy-1H-indol-3-yl)-ethanone, 1-(1-benzyl-2-methyl-5-(prop-2-yn-1-yloxy)-1H-indol-3-yl)ethanone, 1-[1-BENZYL-2-METHYL-5-(2-PROPYNYLOXY)-1H-INDOL-3-YL]-1-ETHANONE, 1-[1-benzyl-2-methyl-5-(prop-2-yn-1-yloxy)-1H-indol-3-yl]ethanone
| Molecular Formula | C21H19NO2 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | 4.21262 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.14157 |
| Heavy Atoms | 24 |
| Complexity | 929.86743 |
Chemical Identifiers
| CAS Number | 552284-22-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC#C)C(=O)C |
Product Overview
1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone (CAS 552284-22-7), with molecular formula C21H19NO2 and molecular weight 317.14 g/mol. IUPAC: 1-(1-benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone.
Chemical Property Profile of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone
Property Insights of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone
The XLogP value of 4.21262 indicates that 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone 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-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone?
The CAS number of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone is 552284-22-7.
What is the molecular formula of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone?
The molecular formula of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone is C21H19NO2.
What is the molecular weight of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone?
The molecular weight of 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone is 317.14 g/mol.
Where can I buy 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone?
You can request a quote for 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-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-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.