Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate
TL;DR: Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate (CAS 94385-39-4) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(4-phenylphenoxy)propanoate
Also Known As: butyl2- propanoate, butyl 2-(4-phenylphenoxy)propanoate, Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate, Propanoic acid, 2-([1,1'-biphenyl]-4-yloxy)-, butyl ester
| Molecular Formula | C19H22O3 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1569 |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 94385-39-4 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | OYRFTAGKYMRTKR-UHFFFAOYSA-N |
Product Overview
Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate (CAS 94385-39-4), with molecular formula C19H22O3 and molecular weight 298.16 g/mol. IUPAC: butyl 2-(4-phenylphenoxy)propanoate.
Chemical Property Profile of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate
Property Insights of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate
The XLogP value of 5.1 indicates that Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate?
The CAS number of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate is 94385-39-4.
What is the molecular formula of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate?
The molecular formula of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate is C19H22O3.
What is the molecular weight of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate?
The molecular weight of Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate is 298.16 g/mol.
Where can I buy Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate?
You can request a quote for Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-[([1,1'-biphenyl]-4-yl)oxy]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.