Ethyl 2-cyanobenzoate
TL;DR: Ethyl 2-cyanobenzoate (CAS 735-18-2) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyanobenzoate
Also Known As: Ethyl 2-cyanobenzoate, 2-Carbethoxybenzonitrile, Ethyl 2-cyanobenzoate #, ETHYL 2-CYANOBENZOATE 97, ETHYL2-CYANOBENZOATE
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 735-18-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C#N |
| InChIKey | RQQAJOJDAZNFPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyanobenzoate (CAS 735-18-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: ethyl 2-cyanobenzoate.
Chemical Property Profile of Ethyl 2-cyanobenzoate
Property Insights of Ethyl 2-cyanobenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyanobenzoate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyanobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyanobenzoate has 0 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 2-cyanobenzoate?
The CAS number of Ethyl 2-cyanobenzoate is 735-18-2.
What is the molecular formula of Ethyl 2-cyanobenzoate?
The molecular formula of Ethyl 2-cyanobenzoate is C10H9NO2.
What is the molecular weight of Ethyl 2-cyanobenzoate?
The molecular weight of Ethyl 2-cyanobenzoate is 175.06 g/mol.
Where can I buy Ethyl 2-cyanobenzoate?
You can request a quote for Ethyl 2-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.