Hexanedioic acid, trimethyl-, decyl octyl ester
TL;DR: Hexanedioic acid, trimethyl-, decyl octyl ester (CAS 26856-72-4) 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.
1-O-decyl 6-O-octyl 2,3,5-trimethylhexanedioate
Also Known As: Decyl octyl trimethyladipate, Trimethyladipic acid octyldecyl ester, Hexanedioic acid, trimethyl-, decyl octyl ester, 1-decyl 6-octyl 2,3,5-trimethylhexanedioate, Hexanedioic acid,trimethyl-, decyl octyl ester
| Molecular Formula | C27H52O4 |
|---|---|
| Molecular Weight | 440.39 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 440.38657 |
| Heavy Atoms | 31 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 26856-72-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(C)C(C)CC(C)C(=O)OCCCCCCCC |
| InChIKey | CHHRPQGRBWDJFZ-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, trimethyl-, decyl octyl ester (CAS 26856-72-4), with molecular formula C27H52O4 and molecular weight 440.39 g/mol. IUPAC: 1-O-decyl 6-O-octyl 2,3,5-trimethylhexanedioate.
Chemical Property Profile of Hexanedioic acid, trimethyl-, decyl octyl ester
Property Insights of Hexanedioic acid, trimethyl-, decyl octyl ester
The XLogP value of 10.1 indicates that Hexanedioic acid, trimethyl-, decyl octyl 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, trimethyl-, decyl octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, trimethyl-, decyl octyl 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, trimethyl-, decyl octyl ester?
The CAS number of Hexanedioic acid, trimethyl-, decyl octyl ester is 26856-72-4.
What is the molecular formula of Hexanedioic acid, trimethyl-, decyl octyl ester?
The molecular formula of Hexanedioic acid, trimethyl-, decyl octyl ester is C27H52O4.
What is the molecular weight of Hexanedioic acid, trimethyl-, decyl octyl ester?
The molecular weight of Hexanedioic acid, trimethyl-, decyl octyl ester is 440.39 g/mol.
Where can I buy Hexanedioic acid, trimethyl-, decyl octyl ester?
You can request a quote for Hexanedioic acid, trimethyl-, decyl octyl 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, trimethyl-, decyl octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, trimethyl-, decyl octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.