(2,5-Dimethylphenyl) 4-phenylbenzoate
TL;DR: (2,5-Dimethylphenyl) 4-phenylbenzoate (CAS 158723-33-2) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl) 4-phenylbenzoate
Also Known As: (2,5-dimethylphenyl) 4-phenylbenzoate, 2,5-dimethylphenyl [1,1'-biphenyl]-4-carboxylate, [1,1'-Biphenyl]-4-carboxylic acid, 2,5-dimethylphenyl ester, AO-548/40916084
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 5.18964 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 818.2202 |
Chemical Identifiers
| CAS Number | 158723-33-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
(2,5-Dimethylphenyl) 4-phenylbenzoate (CAS 158723-33-2), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (2,5-dimethylphenyl) 4-phenylbenzoate.
Chemical Property Profile of (2,5-Dimethylphenyl) 4-phenylbenzoate
Property Insights of (2,5-Dimethylphenyl) 4-phenylbenzoate
The XLogP value of 5.18964 indicates that (2,5-Dimethylphenyl) 4-phenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,5-Dimethylphenyl) 4-phenylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,5-Dimethylphenyl) 4-phenylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,5-Dimethylphenyl) 4-phenylbenzoate?
The CAS number of (2,5-Dimethylphenyl) 4-phenylbenzoate is 158723-33-2.
What is the molecular formula of (2,5-Dimethylphenyl) 4-phenylbenzoate?
The molecular formula of (2,5-Dimethylphenyl) 4-phenylbenzoate is C21H18O2.
What is the molecular weight of (2,5-Dimethylphenyl) 4-phenylbenzoate?
The molecular weight of (2,5-Dimethylphenyl) 4-phenylbenzoate is 302.13 g/mol.
Where can I buy (2,5-Dimethylphenyl) 4-phenylbenzoate?
You can request a quote for (2,5-Dimethylphenyl) 4-phenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-Dimethylphenyl) 4-phenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethylphenyl) 4-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.