Dibenzyl adipate
TL;DR: Dibenzyl adipate (CAS 2451-84-5) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl hexanedioate
Also Known As: Dibenzyl adipate, Dibenzyl hexanedioate, Adipic Acid Dibenzyl Ester, DibenzylAdipate, Dibenzyl=adipate
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 2451-84-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCC(=O)OCC2=CC=CC=C2 |
| InChIKey | AEUORZZHALJMBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzyl adipate (CAS 2451-84-5), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: dibenzyl hexanedioate.
Chemical Property Profile of Dibenzyl adipate
Property Insights of Dibenzyl adipate
The XLogP value of 3.6 indicates that Dibenzyl adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibenzyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzyl adipate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzyl adipate?
The CAS number of Dibenzyl adipate is 2451-84-5.
What is the molecular formula of Dibenzyl adipate?
The molecular formula of Dibenzyl adipate is C20H22O4.
What is the molecular weight of Dibenzyl adipate?
The molecular weight of Dibenzyl adipate is 326.15 g/mol.
Where can I buy Dibenzyl adipate?
You can request a quote for Dibenzyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.