ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate (CAS 1052524-02-3) is a chemical compound with molecular formula C22H33ClN2O4 and molecular weight 424.2129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate;hydrochloride
Also Known As: ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate, F1600-0014, ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate hydrochloride, ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate;hydrochloride, ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate hydrochloride
Technical Specifications
| Molecular Formula | C22H33ClN2O4 |
| Molecular Weight | 424.2129 g/mol |
| XLogP | 3.70092 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.2129 Da |
| Heavy Atoms | 29 |
| Complexity | 495.0 |
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C)C.Cl |
| InChIKey | LHXHPFLICVPAKI-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 3.70092 indicates that ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is 1052524-02-3.
What is the molecular formula of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is C22H33ClN2O4.
What is the molecular weight of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is 424.2129 g/mol.
Where can I buy ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-(3-azepan-1-yl-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.