Ethyl 2-phenylethanimidoate
TL;DR: Ethyl 2-phenylethanimidoate (CAS 4971-77-1) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylethanimidate
Also Known As: ethyl 2-phenylethanimidate, ethyl 2-phenylacetimidate, ethyl 2-phenylethanimidoate, Benzeneethanimidicacid, ethyl ester, 2-PHENYL-ACETIMIDIC ACID ETHYL ESTER
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4971-77-1 |
|---|---|
| SMILES | CCOC(=N)CC1=CC=CC=C1 |
| InChIKey | WOSCONIPQYKXMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-phenylethanimidoate (CAS 4971-77-1), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: ethyl 2-phenylethanimidate.
Chemical Property Profile of Ethyl 2-phenylethanimidoate
Property Insights of Ethyl 2-phenylethanimidoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-phenylethanimidoate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl 2-phenylethanimidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-phenylethanimidoate has 1 hydrogen bond donor(s) and 2 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 2-phenylethanimidoate?
The CAS number of Ethyl 2-phenylethanimidoate is 4971-77-1.
What is the molecular formula of Ethyl 2-phenylethanimidoate?
The molecular formula of Ethyl 2-phenylethanimidoate is C10H13NO.
What is the molecular weight of Ethyl 2-phenylethanimidoate?
The molecular weight of Ethyl 2-phenylethanimidoate is 163.10 g/mol.
Where can I buy Ethyl 2-phenylethanimidoate?
You can request a quote for Ethyl 2-phenylethanimidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-phenylethanimidoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-phenylethanimidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.