Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester
TL;DR: Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester (CAS 68052-04-0) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-(2-ethylhexyl) 1-O-(8-methylnonyl) hexanedioate
Also Known As: 2-Ethylhexyl isodecyl adipate, 2-ethylhexylisodecyladipate, Hexanedioic acid, 2-ethylhexyl isodecyl ester, 2-Ethylhexyl 8-methylnonyl hexanedioate, Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 68052-04-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCC(=O)OCCCCCCCC(C)C |
| InChIKey | HOSZAPIFYRKHAK-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester (CAS 68052-04-0), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: 6-O-(2-ethylhexyl) 1-O-(8-methylnonyl) hexanedioate.
Chemical Property Profile of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester
Property Insights of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester
The XLogP value of 7.9 indicates that Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester 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 Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester?
The CAS number of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester is 68052-04-0.
What is the molecular formula of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester?
The molecular formula of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester is C24H46O4.
What is the molecular weight of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester?
The molecular weight of Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester is 398.34 g/mol.
Where can I buy Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester?
You can request a quote for Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 1-(2-ethylhexyl) 6-isodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.