Butyl 4-butoxybenzoate
TL;DR: Butyl 4-butoxybenzoate (CAS 4906-27-8) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-butoxybenzoate
Also Known As: butyl 4-butoxybenzoate, 4-Butoxy-benzoesaeure-butylester, Benzoic acid, 4-butyloxy-, butyl ester, RefChem:331007
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 4906-27-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCCC |
| InChIKey | VZTOPIZKYQFRNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 4-butoxybenzoate (CAS 4906-27-8), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: butyl 4-butoxybenzoate.
Chemical Property Profile of Butyl 4-butoxybenzoate
Property Insights of Butyl 4-butoxybenzoate
The XLogP value of 5.1 indicates that Butyl 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Butyl 4-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-butoxybenzoate 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 Butyl 4-butoxybenzoate?
The CAS number of Butyl 4-butoxybenzoate is 4906-27-8.
What is the molecular formula of Butyl 4-butoxybenzoate?
The molecular formula of Butyl 4-butoxybenzoate is C15H22O3.
What is the molecular weight of Butyl 4-butoxybenzoate?
The molecular weight of Butyl 4-butoxybenzoate is 250.16 g/mol.
Where can I buy Butyl 4-butoxybenzoate?
You can request a quote for Butyl 4-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.