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 |
Product Description
Applications: Simfibrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Simfibrate (CAS 14929-11-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Simfibrate (CAS 14929-11-4) has the molecular formula C23H26Cl2O6 and a molecular weight of 468.11 g/mol. It is also known as simfibrate and Cholesolvin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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.
What are the applications of Simfibrate?
Simfibrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Simfibrate (CAS 14929-11-4) with custom...
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.