己二酸二辛酯
TL;DR: 己二酸二辛酯 (CAS 123-79-5) 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.
己二酸二辛酯
dioctyl hexanedioate
Also Known As: Dioctyl adipate, Dioctyl hexanedioate, Di-n-octyl adipate, Octyl adipate, Adimoll DO
| 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 | 296.0 |
| Melting Point | 7.49 °C (280.65 K) |
| Boiling Point | Normal Boiling Point: 404.84 °C (687 K) |
| Density | 1.2145X10+8 kmol/cu m @ 7.49 °C (280.65 K) |
| Solubility | INSOL IN WATER @ 25 °C; INSOL OR VERY SLIGHTLY SOL IN GLYCERINE & GLYCOLS; SOL IN MOST ORGANIC SOLVENTS |
| Vapor Pressure | 0.00000085 [mmHg] |
| Refractive Index | 1.45 (determined at 293 K) |
Chemical Identifiers
| CAS Number | 123-79-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC |
| InChIKey | NEHDRDVHPTWWFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸二辛酯 (CAS 123-79-5), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: dioctyl hexanedioate.
Chemical Property Profile of 己二酸二辛酯
Property Insights of 己二酸二辛酯
The XLogP value of 7.4 indicates that 己二酸二辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸二辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸二辛酯 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 己二酸二辛酯?
The CAS number of 己二酸二辛酯 is 123-79-5.
What is the molecular formula of 己二酸二辛酯?
The molecular formula of 己二酸二辛酯 is C22H42O4.
What is the molecular weight of 己二酸二辛酯?
The molecular weight of 己二酸二辛酯 is 370.31 g/mol.
Where can I buy 己二酸二辛酯?
You can request a quote for 己二酸二辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸二辛酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸二辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.