Decyl hexyl adipate
TL;DR: Decyl hexyl adipate (CAS 22707-35-3) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-decyl 1-O-hexyl hexanedioate
Also Known As: Decyl hexyl adipate, n-hexyl n-decyl adipate, Hexanedioic acid, decyl hexyl ester, 1-butanoylpyrrolidin-2-one, Adipic acid, decyl hexyl ester
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 22707-35-3 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC |
| InChIKey | QKZWHBZWJOJJHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl hexyl adipate (CAS 22707-35-3), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: 6-O-decyl 1-O-hexyl hexanedioate.
Chemical Property Profile of Decyl hexyl adipate
Property Insights of Decyl hexyl adipate
The XLogP value of 7.4 indicates that Decyl hexyl 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, Decyl hexyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl hexyl 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 Decyl hexyl adipate?
The CAS number of Decyl hexyl adipate is 22707-35-3.
What is the molecular formula of Decyl hexyl adipate?
The molecular formula of Decyl hexyl adipate is C22H42O4.
What is the molecular weight of Decyl hexyl adipate?
The molecular weight of Decyl hexyl adipate is 370.31 g/mol.
Where can I buy Decyl hexyl adipate?
You can request a quote for Decyl hexyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl hexyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Decyl hexyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.