Ethyl 4-fluorobenzimidate
TL;DR: Ethyl 4-fluorobenzimidate (CAS 52162-47-7) is a chemical compound with molecular formula C9H10FNO and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-fluorobenzenecarboximidate
Also Known As: Ethyl 4-fluorobenzimidate, Ethyl p-fluorobenzimidate, Ethyl 4-fluorobenzenecarboximidate, ethyl 4-fluorobenzene-1-carboximidate, ethyl 4-fluorobenzenecarboximidoate
| Molecular Formula | C9H10FNO |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.07465 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 52162-47-7 |
|---|---|
| SMILES | CCOC(=N)C1=CC=C(C=C1)F |
| InChIKey | JFKWKYOWMWTTHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-fluorobenzimidate (CAS 52162-47-7), with molecular formula C9H10FNO and molecular weight 167.07 g/mol. IUPAC: ethyl 4-fluorobenzenecarboximidate.
Chemical Property Profile of Ethyl 4-fluorobenzimidate
Property Insights of Ethyl 4-fluorobenzimidate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-fluorobenzimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl 4-fluorobenzimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluorobenzimidate has 1 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 Ethyl 4-fluorobenzimidate?
The CAS number of Ethyl 4-fluorobenzimidate is 52162-47-7.
What is the molecular formula of Ethyl 4-fluorobenzimidate?
The molecular formula of Ethyl 4-fluorobenzimidate is C9H10FNO.
What is the molecular weight of Ethyl 4-fluorobenzimidate?
The molecular weight of Ethyl 4-fluorobenzimidate is 167.07 g/mol.
Where can I buy Ethyl 4-fluorobenzimidate?
You can request a quote for Ethyl 4-fluorobenzimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-fluorobenzimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-fluorobenzimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.