吲哚-4-甲醛
TL;DR: 吲哚-4-甲醛 (CAS 111196-81-7) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-4-甲醛
1H-indole-4-carbaldehyde
Also Known As: Indole-4-carboxaldehyde, 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, indole-4-carbaldehyde
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 111196-81-7 |
|---|---|
| SMILES | C1=CC(=C2C=CNC2=C1)C=O |
| InChIKey | JFDDFGLNZWNJTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-4-甲醛 (CAS 111196-81-7), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 1H-indole-4-carbaldehyde.
Chemical Property Profile of 吲哚-4-甲醛
Property Insights of 吲哚-4-甲醛
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-4-甲醛. With a topological polar surface area (TPSA) of 32.9 Ų, 吲哚-4-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-4-甲醛 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 吲哚-4-甲醛?
The CAS number of 吲哚-4-甲醛 is 111196-81-7.
What is the molecular formula of 吲哚-4-甲醛?
The molecular formula of 吲哚-4-甲醛 is C9H7NO.
What is the molecular weight of 吲哚-4-甲醛?
The molecular weight of 吲哚-4-甲醛 is 145.05 g/mol.
Where can I buy 吲哚-4-甲醛?
You can request a quote for 吲哚-4-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-4-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-4-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.