Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester
TL;DR: Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester (CAS 38495-33-9) 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.
6-O-decyl 1-O-octyl (4R)-2,2,4-trimethylhexanedioate
Also Known As: 2,2,4-Trimethyladipic acid octyl 6-decyl ester, 2,2,4-Trimethyladipic acid, 6-decyl 1-octyl ester, Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester, 6-O-decyl 1-O-octyl (4R)-2,2,4-trimethylhexanedioate, RefChem:786404
| Molecular Formula | C27H52O4 |
|---|---|
| Molecular Weight | 440.39 g/mol |
| LogP | 8.0165 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 440.38657 |
| Heavy Atoms | 31 |
| Complexity | 444.5174 |
Chemical Identifiers
| CAS Number | 38495-33-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[C@H](C)CC(C)(C)C(=O)OCCCCCCCC |
Product Overview
Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester (CAS 38495-33-9), with molecular formula C27H52O4 and molecular weight 440.39 g/mol. IUPAC: 6-O-decyl 1-O-octyl (4R)-2,2,4-trimethylhexanedioate.
Chemical Property Profile of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester
Property Insights of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester
The XLogP value of 8.0165 indicates that Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-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, 2,2,4-trimethyl-, 6-decyl 1-octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-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, 2,2,4-trimethyl-, 6-decyl 1-octyl ester?
The CAS number of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester is 38495-33-9.
What is the molecular formula of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester?
The molecular formula of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester is C27H52O4.
What is the molecular weight of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester?
The molecular weight of Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester is 440.39 g/mol.
Where can I buy Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester?
You can request a quote for Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-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, 2,2,4-trimethyl-, 6-decyl 1-octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 2,2,4-trimethyl-, 6-decyl 1-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.