Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester
TL;DR: Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 84236-44-2) is a chemical compound with molecular formula C26H36O3 and molecular weight 396.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutyl)phenyl] 4-octoxybenzoate
Also Known As: Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester, [4-(2-methylbutyl)phenyl] 4-octoxybenzoate, 4-(2-Methylbutyl)phenyl (1)-4-octyloxybenzoate, 4-(2-METHYLBUTYL)PHENYL 4-(OCTYLOXY)BENZOATE, J1.598.249G
| Molecular Formula | C26H36O3 |
|---|---|
| Molecular Weight | 396.27 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 396.26645 |
| Heavy Atoms | 29 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 84236-44-2 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC |
| InChIKey | XSEXHHROOVDZBQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 84236-44-2), with molecular formula C26H36O3 and molecular weight 396.27 g/mol. IUPAC: [4-(2-methylbutyl)phenyl] 4-octoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester
Property Insights of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester
The XLogP value of 8.9 indicates that Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester 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 Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester?
The CAS number of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester is 84236-44-2.
What is the molecular formula of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular formula of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester is C26H36O3.
What is the molecular weight of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular weight of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester is 396.27 g/mol.
Where can I buy Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester?
You can request a quote for Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.