4-Cyanophenyl 4-ethylbenzoate
TL;DR: 4-Cyanophenyl 4-ethylbenzoate (CAS 56539-85-6) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-ethylbenzoate
Also Known As: 4-Cyanophenyl 4-ethylbenzoate, (4-cyanophenyl) 4-ethylbenzoate, 2BzoCP, 4-Cyanophenyl 4-ethyl-benzoate, ME2N
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 56539-85-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | ULFIAHFQEURGOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanophenyl 4-ethylbenzoate (CAS 56539-85-6), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: (4-cyanophenyl) 4-ethylbenzoate.
Chemical Property Profile of 4-Cyanophenyl 4-ethylbenzoate
Property Insights of 4-Cyanophenyl 4-ethylbenzoate
The XLogP value of 3.8 indicates that 4-Cyanophenyl 4-ethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Cyanophenyl 4-ethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl 4-ethylbenzoate 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 4-Cyanophenyl 4-ethylbenzoate?
The CAS number of 4-Cyanophenyl 4-ethylbenzoate is 56539-85-6.
What is the molecular formula of 4-Cyanophenyl 4-ethylbenzoate?
The molecular formula of 4-Cyanophenyl 4-ethylbenzoate is C16H13NO2.
What is the molecular weight of 4-Cyanophenyl 4-ethylbenzoate?
The molecular weight of 4-Cyanophenyl 4-ethylbenzoate is 251.09 g/mol.
Where can I buy 4-Cyanophenyl 4-ethylbenzoate?
You can request a quote for 4-Cyanophenyl 4-ethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl 4-ethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 4-ethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.