Axitirome
TL;DR: Axitirome (CAS 2050-19-3) is a chemical compound with molecular formula C25H24FNO6 and molecular weight 453.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
Also Known As: Axitirome, Axitiromo, axitiromum, Axitirome [USAN:INN], AXITIROME [INN]
| Molecular Formula | C25H24FNO6 |
|---|---|
| Molecular Weight | 453.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.15875 |
| Heavy Atoms | 33 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 2050-19-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C |
| InChIKey | FUBBWDWIGBTUPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Axitirome (CAS 2050-19-3), with molecular formula C25H24FNO6 and molecular weight 453.16 g/mol. IUPAC: ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate.
Chemical Property Profile of Axitirome
Property Insights of Axitirome
The XLogP value of 5.1 indicates that Axitirome is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Axitirome. Following Lipinski's Rule of Five, Axitirome has 3 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 Axitirome?
The CAS number of Axitirome is 2050-19-3.
What is the molecular formula of Axitirome?
The molecular formula of Axitirome is C25H24FNO6.
What is the molecular weight of Axitirome?
The molecular weight of Axitirome is 453.16 g/mol.
Where can I buy Axitirome?
You can request a quote for Axitirome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Axitirome?
Yes, KEHONG BIO provides custom synthesis services for Axitirome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.