Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester
TL;DR: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester (CAS 100347-76-0) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-prop-2-enoxy-3,5-dipropylbenzoate
Also Known As: 4-Allyloxy-3,5-dipropylbenzoic acid ethyl ester, BENZOIC ACID, 4-(ALLYLOXY)-3,5-DIPROPYL-, ETHYL ESTER, ethyl 4-prop-2-enoxy-3,5-dipropylbenzoate, 4-10-00-00758 (Beilstein Handbook Reference), 4-(Allyloxy)-3,5-dipropylbenzoic acid ethyl ester
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 100347-76-0 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCC |
| InChIKey | LKPLXBXEZDFKKY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester (CAS 100347-76-0), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: ethyl 4-prop-2-enoxy-3,5-dipropylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester
Property Insights of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester
The XLogP value of 5.4 indicates that Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl 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-(allyloxy)-3,5-dipropyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl 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-(allyloxy)-3,5-dipropyl-, ethyl ester?
The CAS number of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester is 100347-76-0.
What is the molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester?
The molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester is C18H26O3.
What is the molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester?
The molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester is 290.19 g/mol.
Where can I buy Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester?
You can request a quote for Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl 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-(allyloxy)-3,5-dipropyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.