1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone
TL;DR: 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone (CAS 312945-52-1) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-hydroxy-2-methyl-1-propan-2-ylindol-3-yl)ethanone
Also Known As: BAS 02055577, AE-848/31849032, 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone, 1-(5-hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)ethanone, 1-(5-hydroxy-2-methyl-1-propan-2-ylindol-3-yl)ethanone
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.43882 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 593.77826 |
Chemical Identifiers
| CAS Number | 312945-52-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(C)C)C=CC(=C2)O)C(=O)C |
Product Overview
1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone (CAS 312945-52-1), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 1-(5-hydroxy-2-methyl-1-propan-2-ylindol-3-yl)ethanone.
Chemical Property Profile of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone
Property Insights of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone
The XLogP value of 3.43882 indicates that 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone has 1 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-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone?
The CAS number of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone is 312945-52-1.
What is the molecular formula of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone?
The molecular formula of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone is C14H17NO2.
What is the molecular weight of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone?
The molecular weight of 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone is 231.13 g/mol.
Where can I buy 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone?
You can request a quote for 1-(5-Hydroxy-1-isopropyl-2-methyl-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-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Hydroxy-1-isopropyl-2-methyl-1H-indol-3-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.