4-Cyanophenyl octanoate
TL;DR: 4-Cyanophenyl octanoate (CAS 93777-17-4) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) octanoate
Also Known As: 4-Cyanophenyl octanoate, 4-cyanophenyloctanoate, (4-cyanophenyl) octanoate, EINECS 298-046-1, Octanoic acid, 4-cyanophenyl ester
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 93777-17-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)C#N |
| InChIKey | XRSCWCVKLXEFJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanophenyl octanoate (CAS 93777-17-4), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: (4-cyanophenyl) octanoate.
Chemical Property Profile of 4-Cyanophenyl octanoate
Property Insights of 4-Cyanophenyl octanoate
The XLogP value of 4.4 indicates that 4-Cyanophenyl octanoate 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl octanoate 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 octanoate?
The CAS number of 4-Cyanophenyl octanoate is 93777-17-4.
What is the molecular formula of 4-Cyanophenyl octanoate?
The molecular formula of 4-Cyanophenyl octanoate is C15H19NO2.
What is the molecular weight of 4-Cyanophenyl octanoate?
The molecular weight of 4-Cyanophenyl octanoate is 245.14 g/mol.
Where can I buy 4-Cyanophenyl octanoate?
You can request a quote for 4-Cyanophenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.