3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride
TL;DR: 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride (CAS 81471-31-0) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-phenylpropanimidate;hydrochloride
Also Known As: ethyl 3-oxo-3-phenylpropanimidate hydrochloride, ethyl 3-oxo-3-phenylpropanimidoate hydrochloride, 3-oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride, 3-oxo-3-phenyl-propionimidic acid ethyl ester, hydrochloride, ethyl (1Z)-3-oxo-3-phenylpropanimidoate hydrochloride (1:1)
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.69497 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 81471-31-0 |
|---|---|
| SMILES | CCOC(=N)CC(=O)C1=CC=CC=C1.Cl |
| InChIKey | NRLDWWRFCBQNPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride (CAS 81471-31-0), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: ethyl 3-oxo-3-phenylpropanimidate;hydrochloride.
Chemical Property Profile of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride
Property Insights of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride
The XLogP value of 2.69497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride. With a topological polar surface area (TPSA) of 50.2 Ų, 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride has 2 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 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride?
The CAS number of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride is 81471-31-0.
What is the molecular formula of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride?
The molecular formula of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride is C11H14ClNO2.
What is the molecular weight of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride?
The molecular weight of 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride is 227.07 g/mol.
Where can I buy 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride?
You can request a quote for 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.