2,4-DB isooctyl ester
TL;DR: 2,4-DB isooctyl ester (CAS 13226-09-0) is a chemical compound with molecular formula C18H26Cl2O3 and molecular weight 360.1259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylheptyl 4-(2,4-dichlorophenoxy)butanoate
Also Known As: 2,4-DB-isoctyl, 2,4-DB isooctyl ester, 2,4-DB-isooctyl ester, 2,4-db,isooctylester, Caswell No. 316D
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H26Cl2O3 |
| Molecular Weight | 360.1259 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 360.1259 Da |
| Heavy Atoms | 23 |
| Complexity | 323.0 |
| SMILES | CC(C)CCCCCOC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | RKZULGKMTDEQNJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-DB isooctyl ester
Property Insights of 2,4-DB isooctyl ester
The XLogP value of 7.0 indicates that 2,4-DB isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4-DB isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-DB isooctyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4-DB isooctyl ester?
The CAS number of 2,4-DB isooctyl ester is 13226-09-0.
What is the molecular formula of 2,4-DB isooctyl ester?
The molecular formula of 2,4-DB isooctyl ester is C18H26Cl2O3.
What is the molecular weight of 2,4-DB isooctyl ester?
The molecular weight of 2,4-DB isooctyl ester is 360.1259 g/mol.
Where can I buy 2,4-DB isooctyl ester?
You can request a quote for 2,4-DB isooctyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-DB isooctyl ester?
Yes, CoreyChem provides custom synthesis services for 2,4-DB isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.