Dihexyl sebacate
TL;DR: Dihexyl sebacate (CAS 2449-10-7) 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.
dihexyl decanedioate
Also Known As: Dihexyl sebacate, dihexyl decanedioate, DihexyI sebacate, Di-n-hexyl sebacate, Decanedioic acid, dihexyl 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 | 296.0 |
Chemical Identifiers
| CAS Number | 2449-10-7 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC |
| InChIKey | GQIDSVPVVYHXAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl sebacate (CAS 2449-10-7), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: dihexyl decanedioate.
Chemical Property Profile of Dihexyl sebacate
Property Insights of Dihexyl sebacate
The XLogP value of 7.4 indicates that Dihexyl sebacate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dihexyl sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl sebacate 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 Dihexyl sebacate?
The CAS number of Dihexyl sebacate is 2449-10-7.
What is the molecular formula of Dihexyl sebacate?
The molecular formula of Dihexyl sebacate is C22H42O4.
What is the molecular weight of Dihexyl sebacate?
The molecular weight of Dihexyl sebacate is 370.31 g/mol.
Where can I buy Dihexyl sebacate?
You can request a quote for Dihexyl sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl sebacate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.