(E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate
TL;DR: (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate (CAS 296264-23-8) is a chemical compound with molecular formula C13H15FN4O2 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dimethylaminodiazenyl)-5-fluoro-1H-indole-2-carboxylate
Also Known As: ethyl 3-(dimethylaminohydrazinylidene)-5-fluoroindole-2-carboxylate, ethyl (3Z)-3-(dimethylaminohydrazinylidene)-5-fluoroindole-2-carboxylate, (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C13H15FN4O2 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 3.044 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1179 |
| Heavy Atoms | 20 |
| Complexity | 663.68005 |
Chemical Identifiers
| CAS Number | 296264-23-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)N=NN(C)C |
Product Overview
(E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate (CAS 296264-23-8), with molecular formula C13H15FN4O2 and molecular weight 278.12 g/mol. IUPAC: ethyl 3-(dimethylaminodiazenyl)-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate
Property Insights of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.044 indicates that (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-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 (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate?
The CAS number of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate is 296264-23-8.
What is the molecular formula of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate is C13H15FN4O2.
What is the molecular weight of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate is 278.12 g/mol.
Where can I buy (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-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 (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(3,3-dimethyltriaz-1-en-1-yl)-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.