Methyl 3-(azepan-1-yl)-2-methylpropanoate
TL;DR: Methyl 3-(azepan-1-yl)-2-methylpropanoate (CAS 25027-58-1) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(azepan-1-yl)-2-methylpropanoate
Also Known As: methyl 3-(azepan-1-yl)-2-methylpropanoate, Methyl 3-azepan-1-yl-2-methylpropanoate, Methyl hexahydro-alpha-methyl-1H-azepine-1-propionate hydrochloride, methylhexahydro-alpha-methyl-1H-azepine-1-propionate, Methyl hexahydro-alpha-methyl-1H-azepine-1-propionate
Technical Specifications
| Molecular Formula | C11H21NO2 |
| Molecular Weight | 199.15723 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.15723 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| SMILES | CC(CN1CCCCCC1)C(=O)OC |
| InChIKey | RGTNCOFLOIQTDF-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(azepan-1-yl)-2-methylpropanoate
Property Insights of Methyl 3-(azepan-1-yl)-2-methylpropanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(azepan-1-yl)-2-methylpropanoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 3-(azepan-1-yl)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(azepan-1-yl)-2-methylpropanoate 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
What is the CAS number of Methyl 3-(azepan-1-yl)-2-methylpropanoate?
The CAS number of Methyl 3-(azepan-1-yl)-2-methylpropanoate is 25027-58-1.
What is the molecular formula of Methyl 3-(azepan-1-yl)-2-methylpropanoate?
The molecular formula of Methyl 3-(azepan-1-yl)-2-methylpropanoate is C11H21NO2.
What is the molecular weight of Methyl 3-(azepan-1-yl)-2-methylpropanoate?
The molecular weight of Methyl 3-(azepan-1-yl)-2-methylpropanoate is 199.15723 g/mol.
Where can I buy Methyl 3-(azepan-1-yl)-2-methylpropanoate?
You can request a quote for Methyl 3-(azepan-1-yl)-2-methylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(azepan-1-yl)-2-methylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(azepan-1-yl)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.