ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate
TL;DR: ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate (CAS 110504-55-7) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate
Also Known As: N-Acetyl-D,L-homotryptophan Ethyl Ester, ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate, N-Acetyl-D,L-homotryptophan, ethyl ester, N-Acetyl-DL-homotryptophan ethyl ester, N-ACETYL HOMOTRYPTOPHAN ETHYL ESTER
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.1683 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 633.2387 |
Chemical Identifiers
| CAS Number | 110504-55-7 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CNC2=CC=CC=C21)NC(=O)C |
Product Overview
ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate (CAS 110504-55-7), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate
Property Insights of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate
The XLogP value of 2.1683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate. Following Lipinski's Rule of Five, ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate has 2 hydrogen bond donor(s) and 3 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 ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate?
The CAS number of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate is 110504-55-7.
What is the molecular formula of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate?
The molecular formula of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate is C16H20N2O3.
What is the molecular weight of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate?
The molecular weight of ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate is 288.15 g/mol.
Where can I buy ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate?
You can request a quote for ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-acetamido-4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.