![ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate structure](/static/products/7944/794449-50-6.webp)
ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate (CAS 794449-50-6) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-[(dimethylamino)methyl]-1-methylindole-3-carboxylate
Also Known As: ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate, ethyl 5-acetoxy-2-((dimethylamino)methyl)-1-methyl-1H-indole-3-carboxylate, Ethyl 5-acetyloxy-2-(dimethylaminomethyl)-1-methyl-indole-3-carboxylate, ethyl 5-acetyloxy-2-(dimethylaminomethyl)-1-methylindole-3-carboxylate, ethyl 5-acetyloxy-2-[(dimethylamino)methyl]-1-methylindole-3-carboxylate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 794449-50-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C)CN(C)C |
| InChIKey | NGEIGNWFGJZXGF-UHFFFAOYSA-N |
Product Overview
ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate (CAS 794449-50-6), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: ethyl 5-acetyloxy-2-[(dimethylamino)methyl]-1-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate is 794449-50-6.
What is the molecular formula of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate is C17H22N2O4.
What is the molecular weight of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate is 318.16 g/mol.
Where can I buy ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-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 ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(acetyloxy)-2-[(dimethylamino)methyl]-1-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.