Benzyloctyl adipate
TL;DR: Benzyloctyl adipate (CAS 58394-64-2) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 6-O-(2-ethylhexyl) hexanedioate
Also Known As: Benzyl 2-ethylhexyl adipate, BENZYLOCTYL ADIPATE, benzyl2-ethylhexyladipate, 1-O-benzyl 6-O-(2-ethylhexyl) hexanedioate, Benzyl 2-ethylhexyl hexanedioate
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 58394-64-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | OOUQSWGHJPCRLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyloctyl adipate (CAS 58394-64-2), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 1-O-benzyl 6-O-(2-ethylhexyl) hexanedioate.
Chemical Property Profile of Benzyloctyl adipate
Property Insights of Benzyloctyl adipate
The XLogP value of 5.2 indicates that Benzyloctyl 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, Benzyloctyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyloctyl adipate 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 Benzyloctyl adipate?
The CAS number of Benzyloctyl adipate is 58394-64-2.
What is the molecular formula of Benzyloctyl adipate?
The molecular formula of Benzyloctyl adipate is C21H32O4.
What is the molecular weight of Benzyloctyl adipate?
The molecular weight of Benzyloctyl adipate is 348.23 g/mol.
Where can I buy Benzyloctyl adipate?
You can request a quote for Benzyloctyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloctyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Benzyloctyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.