1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-
TL;DR: 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- (CAS 588671-28-7) is a chemical compound with molecular formula C20H21NO2 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
Also Known As: 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-, 5-butyl-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde, 5-butyl-2-(4-methoxyphenyl)indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde,5-butyl-2-(4-methoxyphenyl), RefChem:239077
| Molecular Formula | C20H21NO2 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 4.9986 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.15723 |
| Heavy Atoms | 23 |
| Complexity | 815.524 |
Chemical Identifiers
| CAS Number | 588671-28-7 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1)NC(=C2C=O)C3=CC=C(C=C3)OC |
Product Overview
1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- (CAS 588671-28-7), with molecular formula C20H21NO2 and molecular weight 307.16 g/mol. IUPAC: 5-butyl-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.
Chemical Property Profile of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-
Property Insights of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-
The XLogP value of 4.9986 indicates that 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- 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 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-?
The CAS number of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- is 588671-28-7.
What is the molecular formula of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-?
The molecular formula of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- is C20H21NO2.
What is the molecular weight of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-?
The molecular weight of 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- is 307.16 g/mol.
Where can I buy 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-?
You can request a quote for 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxaldehyde, 5-butyl-2-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.