Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate
TL;DR: Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate (CAS 40945-79-7) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate
Also Known As: Ethyl 5-acetoxy-1,2-dimethyl-1H-indole-3-carboxylate, ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate, Arbidol Impurity 8, Arbidol Impurity 13, ACETOXYINDOLE
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 40945-79-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C)C |
| InChIKey | AEWNSBCPMQKSLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate (CAS 40945-79-7), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate
Property Insights of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate. With a topological polar surface area (TPSA) of 57.5 Ų, Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-acetyloxy-1,2-dimethylindole-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-acetyloxy-1,2-dimethylindole-3-carboxylate?
The CAS number of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 40945-79-7.
What is the molecular formula of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate?
The molecular formula of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is C15H17NO4.
What is the molecular weight of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate?
The molecular weight of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 275.12 g/mol.
Where can I buy Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate?
You can request a quote for Ethyl 5-acetyloxy-1,2-dimethylindole-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-acetyloxy-1,2-dimethylindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.