Ditetradecyl adipate, branched
TL;DR: Ditetradecyl adipate, branched (CAS 69227-17-4) is a chemical compound with molecular formula C34H66O4 and molecular weight 538.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate
Also Known As: Ditetradecyl adipate, branched, EINECS 273-926-8, Hexanedioic acid, ditetradecyl ester, branched, Hexanedioic acid, 1,6-ditetradecyl ester, branched, 1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate
| Molecular Formula | C34H66O4 |
|---|---|
| Molecular Weight | 538.50 g/mol |
| LogP | 10.459 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 27 |
| Exact Mass | 538.4961 |
| Heavy Atoms | 38 |
| Complexity | 544.6039 |
Chemical Identifiers
| CAS Number | 69227-17-4 |
|---|---|
| SMILES | CCCCC[C@@H](CCCOC(=O)CCCCC(=O)OCCCC[C@H](CCCC)CCC(C)C)C[C@H](C)CC |
Product Overview
Ditetradecyl adipate, branched (CAS 69227-17-4), with molecular formula C34H66O4 and molecular weight 538.50 g/mol. IUPAC: 1-O-[(5S)-5-butyl-8-methylnonyl] 6-O-[(4S)-4-[(2R)-2-methylbutyl]nonyl] hexanedioate.
Chemical Property Profile of Ditetradecyl adipate, branched
Property Insights of Ditetradecyl adipate, branched
The XLogP value of 10.459 indicates that Ditetradecyl adipate, branched is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ditetradecyl adipate, branched exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditetradecyl adipate, branched 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 Ditetradecyl adipate, branched?
The CAS number of Ditetradecyl adipate, branched is 69227-17-4.
What is the molecular formula of Ditetradecyl adipate, branched?
The molecular formula of Ditetradecyl adipate, branched is C34H66O4.
What is the molecular weight of Ditetradecyl adipate, branched?
The molecular weight of Ditetradecyl adipate, branched is 538.50 g/mol.
Where can I buy Ditetradecyl adipate, branched?
You can request a quote for Ditetradecyl adipate, branched directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditetradecyl adipate, branched?
Yes, KEHONG BIO provides custom synthesis services for Ditetradecyl adipate, branched and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.