4-Hydroxyindole-3-carboxaldehyde
TL;DR: 4-Hydroxyindole-3-carboxaldehyde (CAS 81779-27-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1H-indole-3-carbaldehyde
Also Known As: 4-hydroxy-1H-indole-3-carbaldehyde, 4-Hydroxyindole-3-carboxaldehyde, 4-hydroxyindole-3-carbaldehyde, 3-formyl-4-hydroxyindole, 4-hydroxy-3-formylindole
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.686 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 431.0212 |
Chemical Identifiers
| CAS Number | 81779-27-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=CN2)C=O |
Product Overview
4-Hydroxyindole-3-carboxaldehyde (CAS 81779-27-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 4-hydroxy-1H-indole-3-carbaldehyde.
Chemical Property Profile of 4-Hydroxyindole-3-carboxaldehyde
Property Insights of 4-Hydroxyindole-3-carboxaldehyde
The XLogP value of 1.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxyindole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 53.09 Ų, 4-Hydroxyindole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyindole-3-carboxaldehyde has 2 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 4-Hydroxyindole-3-carboxaldehyde?
The CAS number of 4-Hydroxyindole-3-carboxaldehyde is 81779-27-3.
What is the molecular formula of 4-Hydroxyindole-3-carboxaldehyde?
The molecular formula of 4-Hydroxyindole-3-carboxaldehyde is C9H7NO2.
What is the molecular weight of 4-Hydroxyindole-3-carboxaldehyde?
The molecular weight of 4-Hydroxyindole-3-carboxaldehyde is 161.05 g/mol.
Where can I buy 4-Hydroxyindole-3-carboxaldehyde?
You can request a quote for 4-Hydroxyindole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyindole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyindole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.