吲哚-3-乙醛
TL;DR: 吲哚-3-乙醛 (CAS 2591-98-2) 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.
吲哚-3-乙醛
2-(1H-indol-3-yl)acetaldehyde
Also Known As: indole-3-acetaldehyde, 2-(1H-indol-3-yl)acetaldehyde, Indoleacetaldehyde, 1H-indole-3-acetaldehyde, Tryptaldehyde
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 2591-98-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC=O |
| InChIKey | WHOOUMGHGSPMGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-3-乙醛 (CAS 2591-98-2), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 2-(1H-indol-3-yl)acetaldehyde.
Chemical Property Profile of 吲哚-3-乙醛
Property Insights of 吲哚-3-乙醛
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-乙醛. With a topological polar surface area (TPSA) of 32.9 Ų, 吲哚-3-乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-乙醛 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-3-乙醛?
The CAS number of 吲哚-3-乙醛 is 2591-98-2.
What is the molecular formula of 吲哚-3-乙醛?
The molecular formula of 吲哚-3-乙醛 is C10H9NO.
What is the molecular weight of 吲哚-3-乙醛?
The molecular weight of 吲哚-3-乙醛 is 159.07 g/mol.
Where can I buy 吲哚-3-乙醛?
You can request a quote for 吲哚-3-乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-3-乙醛?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.