ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate
TL;DR: ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate (CAS 71806-22-9) is a chemical compound with molecular formula C31H48N2O3 and molecular weight 496.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate
Also Known As: Compound 57-118, Cpd-57-118, N-(1-Oxo-9-octadecenyl)tryptophan ethyl ester, ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate, Tryptophan,N-[(9Z)-1-oxo-9-octadecen-1-yl]-, ethyl ester
| Molecular Formula | C31H48N2O3 |
|---|---|
| Molecular Weight | 496.37 g/mol |
| LogP | 7.7958 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 496.3665 |
| Heavy Atoms | 36 |
| Complexity | 902.1126 |
Chemical Identifiers
| CAS Number | 71806-22-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC |
Product Overview
ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate (CAS 71806-22-9), with molecular formula C31H48N2O3 and molecular weight 496.37 g/mol. IUPAC: ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate.
Chemical Property Profile of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate
Property Insights of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate
The XLogP value of 7.7958 indicates that ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate. Following Lipinski's Rule of Five, ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate?
The CAS number of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate is 71806-22-9.
What is the molecular formula of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate?
The molecular formula of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate is C31H48N2O3.
What is the molecular weight of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate?
The molecular weight of ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate is 496.37 g/mol.
Where can I buy ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate?
You can request a quote for ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.