1H-吲哚-3-乙酸丁酯
TL;DR: 1H-吲哚-3-乙酸丁酯 (CAS 17429-10-6) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-吲哚-3-乙酸丁酯
butyl 2-(1H-indol-3-yl)acetate
Also Known As: Butyl 1H-indole-3-acetate, butyl 2-(1H-indol-3-yl)acetate, butyl 1h-indol-3-ylacetate, Butyl (1H-indol-3-yl)acetate, indol-3-yl-acetic acid butyl ester
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 17429-10-6 |
|---|---|
| SMILES | CCCCOC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | GRFMAWCPVKWLFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-吲哚-3-乙酸丁酯 (CAS 17429-10-6), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: butyl 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of 1H-吲哚-3-乙酸丁酯
Property Insights of 1H-吲哚-3-乙酸丁酯
The XLogP value of 3.0 indicates that 1H-吲哚-3-乙酸丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 1H-吲哚-3-乙酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-吲哚-3-乙酸丁酯 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-吲哚-3-乙酸丁酯?
The CAS number of 1H-吲哚-3-乙酸丁酯 is 17429-10-6.
What is the molecular formula of 1H-吲哚-3-乙酸丁酯?
The molecular formula of 1H-吲哚-3-乙酸丁酯 is C14H17NO2.
What is the molecular weight of 1H-吲哚-3-乙酸丁酯?
The molecular weight of 1H-吲哚-3-乙酸丁酯 is 231.13 g/mol.
Where can I buy 1H-吲哚-3-乙酸丁酯?
You can request a quote for 1H-吲哚-3-乙酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-吲哚-3-乙酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 1H-吲哚-3-乙酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.