3-乙氧基-3-亚氨基丙酸乙酯
TL;DR: 3-乙氧基-3-亚氨基丙酸乙酯 (CAS 27317-59-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙氧基-3-亚氨基丙酸乙酯
ethyl 3-ethoxy-3-iminopropanoate
Also Known As: ethyl 3-ethoxy-3-iminopropanoate, Ethyl 3-ethoxy-3-iminopropionate, Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, Ethyl3-ethoxy-3-iminopropanoate, Ethyl ethoxycarbonyl-ethaneimidate
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 27317-59-5 |
|---|---|
| SMILES | CCOC(=N)CC(=O)OCC |
| InChIKey | ZAKAONRTRWRIJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙氧基-3-亚氨基丙酸乙酯 (CAS 27317-59-5), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: ethyl 3-ethoxy-3-iminopropanoate.
Chemical Property Profile of 3-乙氧基-3-亚氨基丙酸乙酯
Property Insights of 3-乙氧基-3-亚氨基丙酸乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙氧基-3-亚氨基丙酸乙酯. With a topological polar surface area (TPSA) of 59.4 Ų, 3-乙氧基-3-亚氨基丙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙氧基-3-亚氨基丙酸乙酯 has 1 hydrogen bond donor(s) and 4 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 3-乙氧基-3-亚氨基丙酸乙酯?
The CAS number of 3-乙氧基-3-亚氨基丙酸乙酯 is 27317-59-5.
What is the molecular formula of 3-乙氧基-3-亚氨基丙酸乙酯?
The molecular formula of 3-乙氧基-3-亚氨基丙酸乙酯 is C7H13NO3.
What is the molecular weight of 3-乙氧基-3-亚氨基丙酸乙酯?
The molecular weight of 3-乙氧基-3-亚氨基丙酸乙酯 is 159.09 g/mol.
Where can I buy 3-乙氧基-3-亚氨基丙酸乙酯?
You can request a quote for 3-乙氧基-3-亚氨基丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙氧基-3-亚氨基丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-乙氧基-3-亚氨基丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.