Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40945-80-0) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzoyloxy-1,2-dimethylindole-3-carboxylate
Also Known As: BAS 00890424, ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate, 1,2-dimethyl-3-carbethoxy-5-benzoyloxyindole, 3-(ethoxycarbonyl)-1,2-dimethylindol-5-yl benzoate, ethyl 5-benzoyloxy-1,2-dimethylindole-3-carboxylate
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 40945-80-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)C)C |
| InChIKey | JFJSFAIPPBSTAO-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40945-80-0), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: ethyl 5-benzoyloxy-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 4.0 indicates that Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate 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 Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate is 40945-80-0.
What is the molecular formula of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate is C20H19NO4.
What is the molecular weight of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate is 337.13 g/mol.
Where can I buy Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for Ethyl 5-(benzoyloxy)-1,2-dimethyl-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 Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(benzoyloxy)-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.