Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
TL;DR: Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate (CAS 67988-54-9) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
Also Known As: ethyl (Z)-3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop, ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 67988-54-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C2C=CC=C(N2C=C1OC(=O)C)C)C#N |
| InChIKey | LXCSSYOOTHIKAV-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate (CAS 67988-54-9), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
Property Insights of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
The XLogP value of 3.2 indicates that Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate has 0 hydrogen bond donor(s) and 5 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 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate?
The CAS number of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate is 67988-54-9.
What is the molecular formula of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate is C17H16N2O4.
What is the molecular weight of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate is 312.11 g/mol.
Where can I buy Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.