1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
TL;DR: 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone (CAS 94004-61-2) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
Also Known As: SDCCGSBI-0661814.P001, 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone, 1-(1-benzyl-5-hydroxy-2-methyl-1H-indol-3-yl)ethanone, 1-(1-Benzyl-5-hydroxy-2-methyl-1H-indol-3-yl)-ethanone, 1-(1-benzyl-5-hydroxy-2-methyl-1H-indol-3-yl)ethan-1-one
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 94004-61-2 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)C |
| InChIKey | ULFKTRMEKNZDRI-UHFFFAOYSA-N |
Product Overview
1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone (CAS 94004-61-2), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone.
Chemical Property Profile of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
Property Insights of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
The XLogP value of 3.3 indicates that 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzyl-5-hydroxy-2-methylindol-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-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The CAS number of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is 94004-61-2.
What is the molecular formula of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The molecular formula of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is C18H17NO2.
What is the molecular weight of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The molecular weight of 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is 279.13 g/mol.
Where can I buy 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
You can request a quote for 1-(1-Benzyl-5-hydroxy-2-methylindol-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-5-hydroxy-2-methylindol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.