Etalocib
TL;DR: Etalocib (CAS 152608-41-8) is a chemical compound with molecular formula C33H33FO6 and molecular weight 544.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
Also Known As: Etalocib, Etalocib sodium, etalocibum, Etalocib [USAN], Etalocib (USAN)
| Molecular Formula | C33H33FO6 |
|---|---|
| Molecular Weight | 544.23 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 544.22614 |
| Heavy Atoms | 40 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 152608-41-8 |
|---|---|
| SMILES | CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O |
| InChIKey | YFIZRWPXUYFCSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etalocib (CAS 152608-41-8), with molecular formula C33H33FO6 and molecular weight 544.23 g/mol. IUPAC: 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid.
Chemical Property Profile of Etalocib
Property Insights of Etalocib
The XLogP value of 8.5 indicates that Etalocib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Etalocib. Following Lipinski's Rule of Five, Etalocib has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etalocib?
The CAS number of Etalocib is 152608-41-8.
What is the molecular formula of Etalocib?
The molecular formula of Etalocib is C33H33FO6.
What is the molecular weight of Etalocib?
The molecular weight of Etalocib is 544.23 g/mol.
Where can I buy Etalocib?
You can request a quote for Etalocib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etalocib?
Yes, KEHONG BIO provides custom synthesis services for Etalocib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.