Ethyl benzimidate
TL;DR: Ethyl benzimidate (CAS 825-60-5) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzenecarboximidate
Also Known As: Ethyl benzimidate, ethyl benzenecarboximidate, Benzimidic acid ethyl, ethyl iminobenzoate, Phenylethoxymethylenamine
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 825-60-5 |
|---|---|
| SMILES | CCOC(=N)C1=CC=CC=C1 |
| InChIKey | CQBWPUJYGMSGDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl benzimidate (CAS 825-60-5), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: ethyl benzenecarboximidate.
Chemical Property Profile of Ethyl benzimidate
Property Insights of Ethyl benzimidate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl benzimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl benzimidate 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 benzimidate?
The CAS number of Ethyl benzimidate is 825-60-5.
What is the molecular formula of Ethyl benzimidate?
The molecular formula of Ethyl benzimidate is C9H11NO.
What is the molecular weight of Ethyl benzimidate?
The molecular weight of Ethyl benzimidate is 149.08 g/mol.
Where can I buy Ethyl benzimidate?
You can request a quote for Ethyl benzimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl benzimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl benzimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.