2-Ethylhexyl nonyl sebacate
TL;DR: 2-Ethylhexyl nonyl sebacate (CAS 5137-28-0) is a chemical compound with molecular formula C27H52O4 and molecular weight 440.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-O-(2-ethylhexyl) 1-O-nonyl decanedioate
Also Known As: 2-Ethylhexyl nonyl sebacate, 2-ethylhexylnonylsebacate, 2-Ethylhexyl nonyl decanedioate, 10-O-(2-ethylhexyl) 1-O-nonyl decanedioate, Sebacic acid, 2-ethylhexyl nonyl ester
| Molecular Formula | C27H52O4 |
|---|---|
| Molecular Weight | 440.39 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 440.38657 |
| Heavy Atoms | 31 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 5137-28-0 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CC)CCCC |
| InChIKey | NWWSFSWXVYZYQB-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl nonyl sebacate (CAS 5137-28-0), with molecular formula C27H52O4 and molecular weight 440.39 g/mol. IUPAC: 10-O-(2-ethylhexyl) 1-O-nonyl decanedioate.
Chemical Property Profile of 2-Ethylhexyl nonyl sebacate
Property Insights of 2-Ethylhexyl nonyl sebacate
The XLogP value of 9.8 indicates that 2-Ethylhexyl nonyl 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, 2-Ethylhexyl nonyl sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl nonyl 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 2-Ethylhexyl nonyl sebacate?
The CAS number of 2-Ethylhexyl nonyl sebacate is 5137-28-0.
What is the molecular formula of 2-Ethylhexyl nonyl sebacate?
The molecular formula of 2-Ethylhexyl nonyl sebacate is C27H52O4.
What is the molecular weight of 2-Ethylhexyl nonyl sebacate?
The molecular weight of 2-Ethylhexyl nonyl sebacate is 440.39 g/mol.
Where can I buy 2-Ethylhexyl nonyl sebacate?
You can request a quote for 2-Ethylhexyl nonyl sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl nonyl sebacate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl nonyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.