Simfibrate
TL;DR: Simfibrate (CAS 14929-11-4) is a chemical compound with molecular formula C23H26Cl2O6 and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: simfibrate, Cholesolvin, Sinfibrate, Simfibratum, Simfibrato
| Molecular Formula | C23H26Cl2O6 |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 468.11066 |
| Heavy Atoms | 31 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 14929-11-4 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Simfibrate (CAS 14929-11-4), with molecular formula C23H26Cl2O6 and molecular weight 468.11 g/mol. IUPAC: 3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate.
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
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 468.11 g/mol.
Where can I buy Simfibrate?
You can request a quote for Simfibrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Simfibrate?
Yes, KEHONG BIO provides custom synthesis services for Simfibrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.