对氰基苯甲酸乙酯
TL;DR: 对氰基苯甲酸乙酯 (CAS 7153-22-2) 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.
对氰基苯甲酸乙酯
ethyl 4-cyanobenzoate
Also Known As: Ethyl 4-cyanobenzoate, Ethyl4-cyanobenzoate, ethyl p-cyanobenzoate, ethyl-4-cyanobenzoate, 4-cyanobenzoic acid ethyl ester
| 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 | 220.0 |
Chemical Identifiers
| CAS Number | 7153-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C#N |
| InChIKey | JLSSWDFCYXSLQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氰基苯甲酸乙酯 (CAS 7153-22-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: ethyl 4-cyanobenzoate.
Chemical Property Profile of 对氰基苯甲酸乙酯
Property Insights of 对氰基苯甲酸乙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氰基苯甲酸乙酯. With a topological polar surface area (TPSA) of 50.1 Ų, 对氰基苯甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氰基苯甲酸乙酯 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 对氰基苯甲酸乙酯?
The CAS number of 对氰基苯甲酸乙酯 is 7153-22-2.
What is the molecular formula of 对氰基苯甲酸乙酯?
The molecular formula of 对氰基苯甲酸乙酯 is C10H9NO2.
What is the molecular weight of 对氰基苯甲酸乙酯?
The molecular weight of 对氰基苯甲酸乙酯 is 175.06 g/mol.
Where can I buy 对氰基苯甲酸乙酯?
You can request a quote for 对氰基苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氰基苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 对氰基苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.