Benzoic acid, 4-propyl-, 4-pentylphenyl ester
TL;DR: Benzoic acid, 4-propyl-, 4-pentylphenyl ester (CAS 129188-99-4) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentylphenyl) 4-propylbenzoate
Also Known As: 4-Pentylphenyl 4-propylbenzoate, (4-pentylphenyl) 4-propylbenzoate, 3Bzo5P, 4-Pentylphenyl-4'-propylbenzoate, Benzoic acid, 4-propyl-, 4-pentylphenyl ester
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 129188-99-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCC |
| InChIKey | WNBFPAKRCJNBBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-propyl-, 4-pentylphenyl ester (CAS 129188-99-4), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: (4-pentylphenyl) 4-propylbenzoate.
Chemical Property Profile of Benzoic acid, 4-propyl-, 4-pentylphenyl ester
Property Insights of Benzoic acid, 4-propyl-, 4-pentylphenyl ester
The XLogP value of 7.1 indicates that Benzoic acid, 4-propyl-, 4-pentylphenyl 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-propyl-, 4-pentylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-propyl-, 4-pentylphenyl 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-propyl-, 4-pentylphenyl ester?
The CAS number of Benzoic acid, 4-propyl-, 4-pentylphenyl ester is 129188-99-4.
What is the molecular formula of Benzoic acid, 4-propyl-, 4-pentylphenyl ester?
The molecular formula of Benzoic acid, 4-propyl-, 4-pentylphenyl ester is C21H26O2.
What is the molecular weight of Benzoic acid, 4-propyl-, 4-pentylphenyl ester?
The molecular weight of Benzoic acid, 4-propyl-, 4-pentylphenyl ester is 310.19 g/mol.
Where can I buy Benzoic acid, 4-propyl-, 4-pentylphenyl ester?
You can request a quote for Benzoic acid, 4-propyl-, 4-pentylphenyl 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-propyl-, 4-pentylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-propyl-, 4-pentylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.