Acetyl-L-tryptophan ethyl ester
TL;DR: Acetyl-L-tryptophan ethyl ester (CAS 42717-06-6) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(1H-indol-3-yl)propanoate
Also Known As: Acetyl-L-tryptophan ethyl ester, Ethyl N-acetyltryptophanate, ethyl 2-acetamido-3-(1H-indol-3-yl)propanoate, N-Acetyl-L-tryptophan ethyl ester, Ethyl acetyl-DL-tryptophanate
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 42717-06-6 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C |
| InChIKey | KQGQONPKSKUHHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetyl-L-tryptophan ethyl ester (CAS 42717-06-6), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: ethyl 2-acetamido-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Acetyl-L-tryptophan ethyl ester
Property Insights of Acetyl-L-tryptophan ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-L-tryptophan ethyl ester. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl-L-tryptophan ethyl ester. Following Lipinski's Rule of Five, Acetyl-L-tryptophan ethyl ester 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 Acetyl-L-tryptophan ethyl ester?
The CAS number of Acetyl-L-tryptophan ethyl ester is 42717-06-6.
What is the molecular formula of Acetyl-L-tryptophan ethyl ester?
The molecular formula of Acetyl-L-tryptophan ethyl ester is C15H18N2O3.
What is the molecular weight of Acetyl-L-tryptophan ethyl ester?
The molecular weight of Acetyl-L-tryptophan ethyl ester is 274.13 g/mol.
Where can I buy Acetyl-L-tryptophan ethyl ester?
You can request a quote for Acetyl-L-tryptophan ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-L-tryptophan ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-L-tryptophan ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.