![4'-Cyano[1,1'-biphenyl]-4-yl acetate structure](/static/products/1277/127783-75-9.webp)
4'-Cyano[1,1'-biphenyl]-4-yl acetate
TL;DR: 4'-Cyano[1,1'-biphenyl]-4-yl acetate (CAS 127783-75-9) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] acetate
Also Known As: 4'-cyano[1,1'-biphenyl]-4-yl acetate, [4-(4-cyanophenyl)phenyl] acetate, 4'-cyano-[1,1'-biphenyl]-4-yl acetate, 4 -Acetoxybiphenyl-4-carbonitrile, 4'-cyano-[1,1'-biphenyl]-4-ylacetate
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.15058 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 591.88586 |
Chemical Identifiers
| CAS Number | 127783-75-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
Product Overview
4'-Cyano[1,1'-biphenyl]-4-yl acetate (CAS 127783-75-9), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] acetate.
Chemical Property Profile of 4'-Cyano[1,1'-biphenyl]-4-yl acetate
Property Insights of 4'-Cyano[1,1'-biphenyl]-4-yl acetate
The XLogP value of 3.15058 indicates that 4'-Cyano[1,1'-biphenyl]-4-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4'-Cyano[1,1'-biphenyl]-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyano[1,1'-biphenyl]-4-yl acetate 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
Frequently Asked Questions
What is the CAS number of 4'-Cyano[1,1'-biphenyl]-4-yl acetate?
The CAS number of 4'-Cyano[1,1'-biphenyl]-4-yl acetate is 127783-75-9.
What is the molecular formula of 4'-Cyano[1,1'-biphenyl]-4-yl acetate?
The molecular formula of 4'-Cyano[1,1'-biphenyl]-4-yl acetate is C15H11NO2.
What is the molecular weight of 4'-Cyano[1,1'-biphenyl]-4-yl acetate?
The molecular weight of 4'-Cyano[1,1'-biphenyl]-4-yl acetate is 237.08 g/mol.
Where can I buy 4'-Cyano[1,1'-biphenyl]-4-yl acetate?
You can request a quote for 4'-Cyano[1,1'-biphenyl]-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Cyano[1,1'-biphenyl]-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyano[1,1'-biphenyl]-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.