4-Cyanophenyl 4-(2-butoxyethoxy)benzoate
TL;DR: 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate (CAS 67131-98-0) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-(2-butoxyethoxy)benzoate
Also Known As: 4-Cyanophenyl4- benzoate, 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate, RLIQVKVERNHZFP-UHFFFAOYSA-, (4-cyanophenyl) 4-(2-butoxyethoxy)benzoate, p-Cyanophenyl p-(2-butoxyethoxy)benzoate
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 67131-98-0 |
|---|---|
| SMILES | CCCCOCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | RLIQVKVERNHZFP-UHFFFAOYSA-N |
Product Overview
4-Cyanophenyl 4-(2-butoxyethoxy)benzoate (CAS 67131-98-0), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: (4-cyanophenyl) 4-(2-butoxyethoxy)benzoate.
Chemical Property Profile of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate
Property Insights of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate
The XLogP value of 4.1 indicates that 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate. Following Lipinski's Rule of Five, 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate has 0 hydrogen bond donor(s) and 5 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-butoxyethoxy)benzoate?
The CAS number of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate is 67131-98-0.
What is the molecular formula of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate?
The molecular formula of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate is C20H21NO4.
What is the molecular weight of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate?
The molecular weight of 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate is 339.15 g/mol.
Where can I buy 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate?
You can request a quote for 4-Cyanophenyl 4-(2-butoxyethoxy)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-butoxyethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 4-(2-butoxyethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.