4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester
TL;DR: 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester (CAS 59443-82-2) is a chemical compound with molecular formula C24H21NO3 and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 4-butoxybenzoate
Also Known As: [4-(4-cyanophenyl)phenyl] 4-butoxybenzoate|4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester|4'-Cyano[1,1'-biphenyl]-4-yl 4-butoxybenzoate|Benzoic acid, 4-butoxy-, 4a(2)-cyano[1,1a(2)-biphenyl]-4-yl ester
| Molecular Formula | C24H21NO3 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 5.62338 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.15213 |
| Heavy Atoms | 28 |
| Complexity | 952.7321 |
Chemical Identifiers
| CAS Number | 59443-82-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
Product Overview
4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester (CAS 59443-82-2), with molecular formula C24H21NO3 and molecular weight 371.15 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 4-butoxybenzoate.
Chemical Property Profile of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester
Property Insights of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester
The XLogP value of 5.62338 indicates that 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester?
The CAS number of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester is 59443-82-2.
What is the molecular formula of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester?
The molecular formula of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester is C24H21NO3.
What is the molecular weight of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester?
The molecular weight of 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester is 371.15 g/mol.
Where can I buy 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester?
You can request a quote for 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-benzoic acid 4'-cyano-biphenyl-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.