3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate
TL;DR: 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate (CAS 380344-72-9) is a chemical compound with molecular formula C20H18FNO4 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-fluorobenzoyl)oxy-1,2-dimethylindole-3-carboxylate
Also Known As: 3-(ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate, ethyl 5-(4-fluorobenzoyl)oxy-1,2-dimethylindole-3-carboxylate, Ethyl 5-(4-fluorobenzoyl)oxy-1,2-dimethyl-indole-3-carboxylate
| Molecular Formula | C20H18FNO4 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 4.02172 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.12198 |
| Heavy Atoms | 26 |
| Complexity | 989.209 |
Chemical Identifiers
| CAS Number | 380344-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)F)C)C |
Product Overview
3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate (CAS 380344-72-9), with molecular formula C20H18FNO4 and molecular weight 355.12 g/mol. IUPAC: ethyl 5-(4-fluorobenzoyl)oxy-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate
Property Insights of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate
The XLogP value of 4.02172 indicates that 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate has 0 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 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate?
The CAS number of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate is 380344-72-9.
What is the molecular formula of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate?
The molecular formula of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate is C20H18FNO4.
What is the molecular weight of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate?
The molecular weight of 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate is 355.12 g/mol.
Where can I buy 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate?
You can request a quote for 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethoxycarbonyl)-1,2-dimethylindol-5-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.