Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester
TL;DR: Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester (CAS 68425-96-7) is a chemical compound with molecular formula C25H48O4 and molecular weight 412.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl 2,4,4-trimethylhexanedioate
Also Known As: Dioctyl 2,4,4-trimethyladipate, dioctyl 2,4,4-trimethylhexanedioate, Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester, Hexanedioic acid, 2,4,4-trimethyl-, dioctyl ester, 2,4,4-Trimethylhexanedioic acid dioctyl ester
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 68425-96-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC |
| InChIKey | PZUFQXFABCHDMT-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester (CAS 68425-96-7), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: dioctyl 2,4,4-trimethylhexanedioate.
Chemical Property Profile of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester
Property Insights of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester
The XLogP value of 8.8 indicates that Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl 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, 2,4,4-trimethyl-, 1,6-dioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl 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, 2,4,4-trimethyl-, 1,6-dioctyl ester?
The CAS number of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester is 68425-96-7.
What is the molecular formula of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester?
The molecular formula of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester is C25H48O4.
What is the molecular weight of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester?
The molecular weight of Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester is 412.36 g/mol.
Where can I buy Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester?
You can request a quote for Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl 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, 2,4,4-trimethyl-, 1,6-dioctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.