4-Cyanophenyl 4-(3-butenyloxy)benzoate
TL;DR: 4-Cyanophenyl 4-(3-butenyloxy)benzoate (CAS 114482-61-0) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-but-3-enoxybenzoate
Also Known As: 4-Cyanophenyl 4-(3-butenyloxy)benzoate, BeOBzoCB, 4-cyanophenyl 4-(but-3-en-1-yloxy)benzoate, (4-cyanophenyl) 4-but-3-enoxybenzoate, 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 114482-61-0 |
|---|---|
| SMILES | C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | XGRKLNHEYFRXFW-UHFFFAOYSA-N |
Product Overview
4-Cyanophenyl 4-(3-butenyloxy)benzoate (CAS 114482-61-0), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: (4-cyanophenyl) 4-but-3-enoxybenzoate.
Chemical Property Profile of 4-Cyanophenyl 4-(3-butenyloxy)benzoate
Property Insights of 4-Cyanophenyl 4-(3-butenyloxy)benzoate
The XLogP value of 4.1 indicates that 4-Cyanophenyl 4-(3-butenyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 4-Cyanophenyl 4-(3-butenyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl 4-(3-butenyloxy)benzoate has 0 hydrogen bond donor(s) and 4 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-(3-butenyloxy)benzoate?
The CAS number of 4-Cyanophenyl 4-(3-butenyloxy)benzoate is 114482-61-0.
What is the molecular formula of 4-Cyanophenyl 4-(3-butenyloxy)benzoate?
The molecular formula of 4-Cyanophenyl 4-(3-butenyloxy)benzoate is C18H15NO3.
What is the molecular weight of 4-Cyanophenyl 4-(3-butenyloxy)benzoate?
The molecular weight of 4-Cyanophenyl 4-(3-butenyloxy)benzoate is 293.11 g/mol.
Where can I buy 4-Cyanophenyl 4-(3-butenyloxy)benzoate?
You can request a quote for 4-Cyanophenyl 4-(3-butenyloxy)benzoate 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-(3-butenyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 4-(3-butenyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.