Tetramethylene dibenzoate
TL;DR: Tetramethylene dibenzoate (CAS 19224-27-2) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyloxybutyl benzoate
Also Known As: 4-benzoyloxybutyl benzoate, 1, dibenzoate, 1,4-BUTANEDIOL, DIBENZOATE, butylene dibenzoate, 1,4-Butylene glycol dibenzoate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 19224-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=CC=C2 |
| InChIKey | YHOWYTOWCBNTHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetramethylene dibenzoate (CAS 19224-27-2), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 4-benzoyloxybutyl benzoate.
Chemical Property Profile of Tetramethylene dibenzoate
Property Insights of Tetramethylene dibenzoate
The XLogP value of 5.4 indicates that Tetramethylene dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tetramethylene dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetramethylene dibenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetramethylene dibenzoate?
The CAS number of Tetramethylene dibenzoate is 19224-27-2.
What is the molecular formula of Tetramethylene dibenzoate?
The molecular formula of Tetramethylene dibenzoate is C18H18O4.
What is the molecular weight of Tetramethylene dibenzoate?
The molecular weight of Tetramethylene dibenzoate is 298.12 g/mol.
Where can I buy Tetramethylene dibenzoate?
You can request a quote for Tetramethylene dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetramethylene dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tetramethylene dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.