Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester
TL;DR: Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester (CAS 100545-68-4) is a chemical compound with molecular formula C25H34O2 and molecular weight 366.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutyl)phenyl] 4-heptylbenzoate
Also Known As: Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester, [4-(2-methylbutyl)phenyl] 4-heptylbenzoate, 4-(2-METHYLBUTYL)PHENYL 4-HEPTYLBENZOATE, J1.550.286J, 4-Heptylbenzoic acid 4-(2-methylbutyl)phenyl ester
| Molecular Formula | C25H34O2 |
|---|---|
| Molecular Weight | 366.26 g/mol |
| LogP | 7.0073 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 366.2559 |
| Heavy Atoms | 27 |
| Complexity | 670.475 |
Chemical Identifiers
| CAS Number | 100545-68-4 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC |
Product Overview
Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester (CAS 100545-68-4), with molecular formula C25H34O2 and molecular weight 366.26 g/mol. IUPAC: [4-(2-methylbutyl)phenyl] 4-heptylbenzoate.
Chemical Property Profile of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester
Property Insights of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester
The XLogP value of 7.0073 indicates that Benzoic acid, 4-heptyl-, 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 26.3 Ų, Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester 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 Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester?
The CAS number of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester is 100545-68-4.
What is the molecular formula of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester?
The molecular formula of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester is C25H34O2.
What is the molecular weight of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester?
The molecular weight of Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester is 366.26 g/mol.
Where can I buy Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester?
You can request a quote for Benzoic acid, 4-heptyl-, 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-heptyl-, 4-(2-methylbutyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-heptyl-, 4-(2-methylbutyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.