Hydroxy Tipelukast
TL;DR: Hydroxy Tipelukast (CAS 1027597-04-1) is a chemical compound with molecular formula C29H40O7S and molecular weight 532.24945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propylphenoxy]butanoic acid
Also Known As: Hydroxy Tipelukast, Hydroxy Tipelukast D6, (+)-4-[3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-6-(1-hydroxyethyl)-2-propylphenoxy] butanoic acid, (-)-4-[3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio) propoxy)-6-(1-hydroxyethyl)-2-propylphenoxy] butanoic acid, 4-(3-(3-((4-Acetyl-3-hydroxy-2-propylphenyl)thio)propoxy)-6-(1-hydroxyethyl)-2-propylphenoxy)butanoate
Technical Specifications
| Molecular Formula | C29H40O7S |
| Molecular Weight | 532.24945 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 532.24945 Da |
| Heavy Atoms | 37 |
| Complexity | 675.0 |
| SMILES | CCCC1=C(C=CC(=C1OCCCC(=O)O)C(C)O)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC |
| InChIKey | MLDWEJZYGSSUCN-UHFFFAOYSA-N |
Chemical Property Profile of Hydroxy Tipelukast
Property Insights of Hydroxy Tipelukast
The XLogP value of 6.4 indicates that Hydroxy Tipelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxy Tipelukast. Following Lipinski's Rule of Five, Hydroxy Tipelukast has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hydroxy Tipelukast?
The CAS number of Hydroxy Tipelukast is 1027597-04-1.
What is the molecular formula of Hydroxy Tipelukast?
The molecular formula of Hydroxy Tipelukast is C29H40O7S.
What is the molecular weight of Hydroxy Tipelukast?
The molecular weight of Hydroxy Tipelukast is 532.24945 g/mol.
Where can I buy Hydroxy Tipelukast?
You can request a quote for Hydroxy Tipelukast directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxy Tipelukast?
Yes, CoreyChem provides custom synthesis services for Hydroxy Tipelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.