2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime
TL;DR: 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime (CAS 861212-50-2) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-methyl-2-(3-methyl-5-propan-2-ylphenoxy)indol-3-yl]methylidene]hydroxylamine
Also Known As: 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime, N-[[1-methyl-2-(3-methyl-5-propan-2-yl-phenoxy)indol-3-yl]methylidene]hydroxylamine, N-[[1-methyl-2-(3-methyl-5-propan-2-ylphenoxy)indol-3-yl]methylidene]hydroxylamine
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 5.21052 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 907.388 |
Chemical Identifiers
| CAS Number | 861212-50-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=C(C3=CC=CC=C3N2C)C=NO)C(C)C |
Product Overview
2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime (CAS 861212-50-2), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: N-[[1-methyl-2-(3-methyl-5-propan-2-ylphenoxy)indol-3-yl]methylidene]hydroxylamine.
Chemical Property Profile of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime
Property Insights of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime
The XLogP value of 5.21052 indicates that 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.75 Ų, 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime?
The CAS number of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime is 861212-50-2.
What is the molecular formula of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime?
The molecular formula of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime is C20H22N2O2.
What is the molecular weight of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime?
The molecular weight of 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime is 322.17 g/mol.
Where can I buy 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime?
You can request a quote for 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-isopropyl-5-methylphenoxy)-1-methyl-1H-indole-3-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.