Ablukast
TL;DR: Ablukast (CAS 96566-25-5) is a chemical compound with molecular formula C28H34O8 and molecular weight 498.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
Also Known As: Ablukast, Ablukastum, Ablukast [USAN:INN], ABLUKAST SODIUM, Ablukastum [INN-Latin]
| Molecular Formula | C28H34O8 |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 498.22537 |
| Heavy Atoms | 36 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 96566-25-5 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=C(C=C3CCC(OC3=C2)C(=O)O)C(=O)C |
| InChIKey | FGGYJWZYDAROFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ablukast (CAS 96566-25-5), with molecular formula C28H34O8 and molecular weight 498.23 g/mol. IUPAC: 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid.
Chemical Property Profile of Ablukast
Property Insights of Ablukast
The XLogP value of 5.5 indicates that Ablukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ablukast. Following Lipinski's Rule of Five, Ablukast has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ablukast?
The CAS number of Ablukast is 96566-25-5.
What is the molecular formula of Ablukast?
The molecular formula of Ablukast is C28H34O8.
What is the molecular weight of Ablukast?
The molecular weight of Ablukast is 498.23 g/mol.
Where can I buy Ablukast?
You can request a quote for Ablukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ablukast?
Yes, KEHONG BIO provides custom synthesis services for Ablukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.