![Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate structure](/static/products/109/1099670-03-7.webp)
Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate
TL;DR: Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate (CAS 1099670-03-7) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(4-cyanophenyl)phenoxy]acetate
Also Known As: methyl 2-[4-(4-cyanophenyl)phenoxy]acetate, Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate, Methyl 2-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate, Methyl 2-[(4a(2)-cyano[1,1a(2)-biphenyl]-4-yl)oxy]acetate
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
| SMILES | COC(=O)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | ITUWFIVMGNKKFO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate
Property Insights of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate. With a topological polar surface area (TPSA) of 59.3 Ų, Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate 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
What is the CAS number of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate?
The CAS number of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate is 1099670-03-7.
What is the molecular formula of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate?
The molecular formula of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate is C16H13NO3.
What is the molecular weight of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate?
The molecular weight of Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate is 267.08954 g/mol.
Where can I buy Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate?
You can request a quote for Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate?
Yes, CoreyChem provides custom synthesis services for Methyl [(4'-cyano[1,1'-biphenyl]-4-yl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.