1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde
TL;DR: 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde (CAS 696649-90-8) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4,6-dimethoxyindole-3-carbaldehyde
Also Known As: 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde, 1-benzyl-4,6-dimethoxyindole-3-carbaldehyde, ZERO/005174, 1-Benzyl-4,6-dimethoxy-1H-indole-3-carboxaldehyde, 4,6-dimethoxy-1-benzylindole-3-carbaldehyde
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.5193 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 806.06036 |
Chemical Identifiers
| CAS Number | 696649-90-8 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=CN2CC3=CC=CC=C3)C=O |
Product Overview
1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde (CAS 696649-90-8), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 1-benzyl-4,6-dimethoxyindole-3-carbaldehyde.
Chemical Property Profile of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde
Property Insights of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde
The XLogP value of 3.5193 indicates that 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde has 0 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-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde?
The CAS number of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde is 696649-90-8.
What is the molecular formula of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde?
The molecular formula of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde is C18H17NO3.
What is the molecular weight of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde?
The molecular weight of 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde is 295.12 g/mol.
Where can I buy 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde?
You can request a quote for 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4,6-dimethoxy-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.