Simfibrate
TL;DR: Simfibrate (CAS 14929-11-4) is a chemical compound with molecular formula C23H26Cl2O6 and molecular weight 468.11066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: simfibrate, Cholesolvin, Sinfibrate, Simfibratum, Simfibrato
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H26Cl2O6 |
| Molecular Weight | 468.11066 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 468.11066 Da |
| Heavy Atoms | 31 |
| Complexity | 529.0 |
| SMILES | CC(C)(C(=O)OCCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl |
| InChIKey | JLRNKCZRCMIVKA-UHFFFAOYSA-N |
Chemical Property Profile of Simfibrate
Property Insights of Simfibrate
The XLogP value of 6.2 indicates that Simfibrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Simfibrate. Following Lipinski's Rule of Five, Simfibrate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Simfibrate?
The CAS number of Simfibrate is 14929-11-4.
What is the molecular formula of Simfibrate?
The molecular formula of Simfibrate is C23H26Cl2O6.
What is the molecular weight of Simfibrate?
The molecular weight of Simfibrate is 468.11066 g/mol.
Where can I buy Simfibrate?
You can request a quote for Simfibrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Simfibrate?
Yes, CoreyChem provides custom synthesis services for Simfibrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.