4-Cyanophenyl butyrate
TL;DR: 4-Cyanophenyl butyrate (CAS 29052-10-6) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyanophenyl) butanoate
Also Known As: 4-Cyanophenyl butyrate, 4-cyanophenyl butanoate, (4-cyanophenyl) butanoate, Butyric acid p-cyanophenyl ester, Butyric acid, 4-cyanophenyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CCCC(=O)OC1=CC=C(C=C1)C#N |
| InChIKey | UQWSXHNINZRCTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyanophenyl butyrate
Property Insights of 4-Cyanophenyl butyrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl butyrate. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Cyanophenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl butyrate 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
What is the CAS number of 4-Cyanophenyl butyrate?
The CAS number of 4-Cyanophenyl butyrate is 29052-10-6.
What is the molecular formula of 4-Cyanophenyl butyrate?
The molecular formula of 4-Cyanophenyl butyrate is C11H11NO2.
What is the molecular weight of 4-Cyanophenyl butyrate?
The molecular weight of 4-Cyanophenyl butyrate is 189.07898 g/mol.
Where can I buy 4-Cyanophenyl butyrate?
You can request a quote for 4-Cyanophenyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyanophenyl butyrate?
Yes, CoreyChem provides custom synthesis services for 4-Cyanophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.