Beclobrate
TL;DR: Beclobrate (CAS 55937-99-0) is a chemical compound with molecular formula C20H23ClO3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Also Known As: Beclobrate, Beclobrato, Beclobratum, beclipur, Beclofibrat
| Molecular Formula | C20H23ClO3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.13358 |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 55937-99-0 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
| InChIKey | YWQGBCXVCXMSLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Beclobrate (CAS 55937-99-0), with molecular formula C20H23ClO3 and molecular weight 346.13 g/mol. IUPAC: ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate.
Chemical Property Profile of Beclobrate
Property Insights of Beclobrate
The XLogP value of 5.8 indicates that Beclobrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Beclobrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Beclobrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Beclobrate?
The CAS number of Beclobrate is 55937-99-0.
What is the molecular formula of Beclobrate?
The molecular formula of Beclobrate is C20H23ClO3.
What is the molecular weight of Beclobrate?
The molecular weight of Beclobrate is 346.13 g/mol.
Where can I buy Beclobrate?
You can request a quote for Beclobrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beclobrate?
Yes, KEHONG BIO provides custom synthesis services for Beclobrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.