Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate
TL;DR: Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate (CAS 52535-63-4) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate
Also Known As: 1,2-dimethyl-3-carbethoxy-5-benzyloxyindole, ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate, ethyl 5-(benzyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 4.24242 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 865.4714 |
Chemical Identifiers
| CAS Number | 52535-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C)C |
Product Overview
Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate (CAS 52535-63-4), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate.
Chemical Property Profile of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate
Property Insights of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate
The XLogP value of 4.24242 indicates that Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate?
The CAS number of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate is 52535-63-4.
What is the molecular formula of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate?
The molecular formula of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate is C20H21NO3.
What is the molecular weight of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate?
The molecular weight of Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate is 323.15 g/mol.
Where can I buy Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate?
You can request a quote for Ethyl 1,2-dimethyl-5-phenylmethoxyindole-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 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2-dimethyl-5-phenylmethoxyindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.