Benzoic acid, 4-butyl-, 4-methoxyphenyl ester
TL;DR: Benzoic acid, 4-butyl-, 4-methoxyphenyl ester (CAS 35684-23-2) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 4-butylbenzoate
Also Known As: 4-Methoxyphenyl 4-butylbenzoate, 4'-Methoxyphenyl 4-butylbenzoate, Benzoic acid, 4-butyl-, 4-methoxyphenyl ester, (4-methoxyphenyl) 4-butylbenzoate, 4-Methoxyphenyl 4-butylbenzoate #
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 35684-23-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC |
| InChIKey | BISLKTRYMAGJLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-butyl-, 4-methoxyphenyl ester (CAS 35684-23-2), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (4-methoxyphenyl) 4-butylbenzoate.
Chemical Property Profile of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester
Property Insights of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester
The XLogP value of 5.2 indicates that Benzoic acid, 4-butyl-, 4-methoxyphenyl 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-butyl-, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butyl-, 4-methoxyphenyl 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-butyl-, 4-methoxyphenyl ester?
The CAS number of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester is 35684-23-2.
What is the molecular formula of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester?
The molecular formula of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester is C18H20O3.
What is the molecular weight of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester?
The molecular weight of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester is 284.14 g/mol.
Where can I buy Benzoic acid, 4-butyl-, 4-methoxyphenyl ester?
You can request a quote for Benzoic acid, 4-butyl-, 4-methoxyphenyl 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-butyl-, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butyl-, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.