(4-Cyanophenyl) 4-(2-methylbutoxy)benzoate
TL;DR: (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate (CAS 67951-45-5) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-(2-methylbutoxy)benzoate
Also Known As: p- benzoicacidp-cyanophenylester, GGANDIXBHZFJIJ-UHFFFAOYSA-, (4-cyanophenyl) 4-(2-methylbutoxy)benzoate, 4-Cyanophenyl 4-(2-methylbutoxy)benzoate, p-Cyanophenyl p-(2-methylbutoxy)benzoate
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 67951-45-5 |
|---|---|
| SMILES | CCC(C)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | GGANDIXBHZFJIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Cyanophenyl) 4-(2-methylbutoxy)benzoate (CAS 67951-45-5), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: (4-cyanophenyl) 4-(2-methylbutoxy)benzoate.
Chemical Property Profile of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate
Property Insights of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate
The XLogP value of 4.7 indicates that (4-Cyanophenyl) 4-(2-methylbutoxy)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-(2-methylbutoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Cyanophenyl) 4-(2-methylbutoxy)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-(2-methylbutoxy)benzoate?
The CAS number of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate is 67951-45-5.
What is the molecular formula of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate?
The molecular formula of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate is C19H19NO3.
What is the molecular weight of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate?
The molecular weight of (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate is 309.14 g/mol.
Where can I buy (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate?
You can request a quote for (4-Cyanophenyl) 4-(2-methylbutoxy)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-(2-methylbutoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl) 4-(2-methylbutoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.