Ethyl hexahydro-1H-azepine-1-propionate
TL;DR: Ethyl hexahydro-1H-azepine-1-propionate (CAS 6763-93-5) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(azepan-1-yl)propanoate
Also Known As: ethyl 3-(azepan-1-yl)propanoate, Ethyl hexahydro-1H-azepine-1-propionate, NCIOpen2_000356, Ethyl hexahydro-1H-azepine-1-propanoate, ethyl 3-azaperhydroepinylpropanoate
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 6763-93-5 |
|---|---|
| SMILES | CCOC(=O)CCN1CCCCCC1 |
| InChIKey | PMJXFMISXSNVBR-UHFFFAOYSA-N |
Product Overview
Ethyl hexahydro-1H-azepine-1-propionate (CAS 6763-93-5), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: ethyl 3-(azepan-1-yl)propanoate.
Chemical Property Profile of Ethyl hexahydro-1H-azepine-1-propionate
Property Insights of Ethyl hexahydro-1H-azepine-1-propionate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hexahydro-1H-azepine-1-propionate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl hexahydro-1H-azepine-1-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hexahydro-1H-azepine-1-propionate 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
Frequently Asked Questions
What is the CAS number of Ethyl hexahydro-1H-azepine-1-propionate?
The CAS number of Ethyl hexahydro-1H-azepine-1-propionate is 6763-93-5.
What is the molecular formula of Ethyl hexahydro-1H-azepine-1-propionate?
The molecular formula of Ethyl hexahydro-1H-azepine-1-propionate is C11H21NO2.
What is the molecular weight of Ethyl hexahydro-1H-azepine-1-propionate?
The molecular weight of Ethyl hexahydro-1H-azepine-1-propionate is 199.16 g/mol.
Where can I buy Ethyl hexahydro-1H-azepine-1-propionate?
You can request a quote for Ethyl hexahydro-1H-azepine-1-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hexahydro-1H-azepine-1-propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hexahydro-1H-azepine-1-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.