![ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate structure](/static/products/116/1164518-61-9.png)
ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate
TL;DR: ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate (CAS 1164518-61-9) is a chemical compound with molecular formula C17H22FN3O2 and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate, (E)-ethyl 3-((1-(diethylamino)ethylidene)amino)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-{[(1E)-1-(diethylamino)ethylidene]amino}-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C17H22FN3O2 |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.16962 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 1164518-61-9 |
|---|---|
| SMILES | CCN(CC)C(=NC1=C(NC2=C1C=C(C=C2)F)C(=O)OCC)C |
| InChIKey | JBQYSCXQNBZNOM-UHFFFAOYSA-N |
Product Overview
ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate (CAS 1164518-61-9), with molecular formula C17H22FN3O2 and molecular weight 319.17 g/mol. IUPAC: ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate
Property Insights of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.1 indicates that ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-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 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate is 1164518-61-9.
What is the molecular formula of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate is C17H22FN3O2.
What is the molecular weight of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate is 319.17 g/mol.
Where can I buy ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[1-(diethylamino)ethylideneamino]-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.