5-Methylindole-3-carboxaldehyde
TL;DR: 5-Methylindole-3-carboxaldehyde (CAS 52831-68-2) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-indole-3-carbaldehyde
Also Known As: 5-methyl-1H-indole-3-carbaldehyde, 5-Methylindole-3-carboxaldehyde, 3-formyl-5-methylindole, 5-Methyl-1H-indole-3-carboxaldehyde, 5-Methylindole-3-carboxyaldehyde
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 52831-68-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC=C2C=O |
| InChIKey | ZTNQWTPWKNDRNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylindole-3-carboxaldehyde (CAS 52831-68-2), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 5-methyl-1H-indole-3-carbaldehyde.
Chemical Property Profile of 5-Methylindole-3-carboxaldehyde
Property Insights of 5-Methylindole-3-carboxaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylindole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 5-Methylindole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylindole-3-carboxaldehyde has 1 hydrogen bond donor(s) and 1 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 5-Methylindole-3-carboxaldehyde?
The CAS number of 5-Methylindole-3-carboxaldehyde is 52831-68-2.
What is the molecular formula of 5-Methylindole-3-carboxaldehyde?
The molecular formula of 5-Methylindole-3-carboxaldehyde is C10H9NO.
What is the molecular weight of 5-Methylindole-3-carboxaldehyde?
The molecular weight of 5-Methylindole-3-carboxaldehyde is 159.07 g/mol.
Where can I buy 5-Methylindole-3-carboxaldehyde?
You can request a quote for 5-Methylindole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylindole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylindole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.