氰乙酸乙氧基乙酯
TL;DR: 氰乙酸乙氧基乙酯 (CAS 32804-77-6) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰乙酸乙氧基乙酯
2-ethoxyethyl 2-cyanoacetate
Also Known As: 2-Ethoxyethyl cyanoacetate, 2-ethoxyethyl 2-cyanoacetate, ethoxyethyl cyanoacetate, 2-Ethoxyethylcyanoacetate, 2-Ethoxyethyl=cyanoacetate
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 32804-77-6 |
|---|---|
| SMILES | CCOCCOC(=O)CC#N |
| InChIKey | UMCLCZMPTREESK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰乙酸乙氧基乙酯 (CAS 32804-77-6), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 2-ethoxyethyl 2-cyanoacetate.
Chemical Property Profile of 氰乙酸乙氧基乙酯
Property Insights of 氰乙酸乙氧基乙酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氰乙酸乙氧基乙酯. With a topological polar surface area (TPSA) of 59.3 Ų, 氰乙酸乙氧基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰乙酸乙氧基乙酯 has 0 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 氰乙酸乙氧基乙酯?
The CAS number of 氰乙酸乙氧基乙酯 is 32804-77-6.
What is the molecular formula of 氰乙酸乙氧基乙酯?
The molecular formula of 氰乙酸乙氧基乙酯 is C7H11NO3.
What is the molecular weight of 氰乙酸乙氧基乙酯?
The molecular weight of 氰乙酸乙氧基乙酯 is 157.07 g/mol.
Where can I buy 氰乙酸乙氧基乙酯?
You can request a quote for 氰乙酸乙氧基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰乙酸乙氧基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 氰乙酸乙氧基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.