Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate
TL;DR: Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate (CAS 391862-06-9) is a chemical compound with molecular formula C25H20FNO4 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_004816, ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate, ethyl 5-(3-fluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate, F0453-0025, ethyl 5-((3-fluorobenzoyl)oxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C25H20FNO4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 5.47392 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.13763 |
| Heavy Atoms | 31 |
| Complexity | 1277.6766 |
Chemical Identifiers
| CAS Number | 391862-06-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4)C |
Product Overview
Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate (CAS 391862-06-9), with molecular formula C25H20FNO4 and molecular weight 417.14 g/mol. IUPAC: ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate
Property Insights of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate
The XLogP value of 5.47392 indicates that Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate?
The CAS number of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate is 391862-06-9.
What is the molecular formula of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate?
The molecular formula of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate is C25H20FNO4.
What is the molecular weight of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate?
The molecular weight of Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate is 417.14 g/mol.
Where can I buy Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate?
You can request a quote for Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-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 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(3-fluorobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.