Ethyl 2-amino-1-cyanoindolizine-3-carboxylate
TL;DR: Ethyl 2-amino-1-cyanoindolizine-3-carboxylate (CAS 353262-91-6) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-1-cyanoindolizine-3-carboxylate
Also Known As: ethyl 2-amino-1-cyanoindolizine-3-carboxylate, 2-amino-1-cyano-3-ethoxycarbonylindolizine, Ethyl 2-amino-1-cyano-3-indolizinecarboxylate, J3.188.845J, Ethyl 2-amino-1-cyano-3-indolizinecarboxylate #
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 353262-91-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)N |
| InChIKey | BEZUBSWRWOGMQE-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-1-cyanoindolizine-3-carboxylate (CAS 353262-91-6), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: ethyl 2-amino-1-cyanoindolizine-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate
Property Insights of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-1-cyanoindolizine-3-carboxylate. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-1-cyanoindolizine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-1-cyanoindolizine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-amino-1-cyanoindolizine-3-carboxylate?
The CAS number of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate is 353262-91-6.
What is the molecular formula of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate?
The molecular formula of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate is C12H11N3O2.
What is the molecular weight of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate?
The molecular weight of Ethyl 2-amino-1-cyanoindolizine-3-carboxylate is 229.09 g/mol.
Where can I buy Ethyl 2-amino-1-cyanoindolizine-3-carboxylate?
You can request a quote for Ethyl 2-amino-1-cyanoindolizine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-1-cyanoindolizine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-1-cyanoindolizine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.