![[2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate structure](/static/products/1005/100573-96-4.webp)
[2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate
TL;DR: [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate (CAS 100573-96-4) is a chemical compound with molecular formula C29H34O2 and molecular weight 414.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate
Also Known As: [2-(2-methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate|2-(2-methylbutyl)phenyl 4'-pentylbiphenyl-4-carboxylate|(1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 4-(2-methylbutyl)phenyl ester|2-(2-METHYLBUTYL)PHENYL 4-(4-PENTYLPHENYL)BENZOATE|4/'-Pentyl-(1,1/'-biphenyl)-4-carboxylic acid, 4-(2-methylbutyl)phenyl ester|[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-(2-methylbutyl)phenyl ester
| Molecular Formula | C29H34O2 |
|---|---|
| Molecular Weight | 414.26 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.2559 |
| Heavy Atoms | 31 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 100573-96-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CC(C)CC |
| InChIKey | MXOLWZUTOMIGPI-UHFFFAOYSA-N |
Product Overview
[2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate (CAS 100573-96-4), with molecular formula C29H34O2 and molecular weight 414.26 g/mol. IUPAC: [2-(2-methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate.
Chemical Property Profile of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate
Property Insights of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate
The XLogP value of 9.5 indicates that [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate 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-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate 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-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate?
The CAS number of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate is 100573-96-4.
What is the molecular formula of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate?
The molecular formula of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate is C29H34O2.
What is the molecular weight of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate?
The molecular weight of [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate is 414.26 g/mol.
Where can I buy [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate?
You can request a quote for [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Methylbutyl)phenyl] 4-(4-pentylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.