1-氮杂环丁烷丙酸乙酯
TL;DR: 1-氮杂环丁烷丙酸乙酯 (CAS 7730-42-9) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氮杂环丁烷丙酸乙酯
ethyl 3-(azetidin-1-yl)propanoate
Also Known As: ethyl 3-(azetidin-1-yl)propanoate, 1-(2-Carbethoxyethyl)azetidine, Ethyl 3-(azetidin-1-yl)propionate, Ethyl 3-(1-azetidinyl)propionate, ethyl 3-azetidin-1-ylpropanoate
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 7730-42-9 |
|---|---|
| SMILES | CCOC(=O)CCN1CCC1 |
| InChIKey | JHEBCRMYKMBVBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氮杂环丁烷丙酸乙酯 (CAS 7730-42-9), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: ethyl 3-(azetidin-1-yl)propanoate.
Chemical Property Profile of 1-氮杂环丁烷丙酸乙酯
Property Insights of 1-氮杂环丁烷丙酸乙酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氮杂环丁烷丙酸乙酯. With a topological polar surface area (TPSA) of 29.5 Ų, 1-氮杂环丁烷丙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氮杂环丁烷丙酸乙酯 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 1-氮杂环丁烷丙酸乙酯?
The CAS number of 1-氮杂环丁烷丙酸乙酯 is 7730-42-9.
What is the molecular formula of 1-氮杂环丁烷丙酸乙酯?
The molecular formula of 1-氮杂环丁烷丙酸乙酯 is C8H15NO2.
What is the molecular weight of 1-氮杂环丁烷丙酸乙酯?
The molecular weight of 1-氮杂环丁烷丙酸乙酯 is 157.11 g/mol.
Where can I buy 1-氮杂环丁烷丙酸乙酯?
You can request a quote for 1-氮杂环丁烷丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氮杂环丁烷丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-氮杂环丁烷丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.