3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate
TL;DR: 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate (CAS 61793-29-1) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxy-2-phenylpropanoic acid
Also Known As: EINECS 263-229-7, 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate, 3-ethyl5-1-isobutyl-2-methyl-1h-indole-3-carboxylate, 3-ethyl5- -1-isobutyl-2-methyl-1H-indole-3-carboxylate, 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxy-2-phenylpropanoic acid
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 5.16122 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 1100.0479 |
Chemical Identifiers
| CAS Number | 61793-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(C)(C3=CC=CC=C3)C(=O)O)CC(C)C)C |
Product Overview
3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate (CAS 61793-29-1), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxy-2-phenylpropanoic acid.
Chemical Property Profile of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate
Property Insights of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate
The XLogP value of 5.16122 indicates that 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate has 1 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 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The CAS number of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate is 61793-29-1.
What is the molecular formula of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The molecular formula of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate is C25H29NO5.
What is the molecular weight of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The molecular weight of 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate is 423.20 g/mol.
Where can I buy 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
You can request a quote for 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.