Tipelukast
TL;DR: Tipelukast (CAS 87714-57-6) is a chemical compound with molecular formula C29H38O7S and molecular weight 530.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid
Also Known As: Tipelukast, MN-001 (Tipelukast), Tipelukast (USAN), Tipelukast [USAN:INN], MN 001 (pharmaceutical)
| Molecular Formula | C29H38O7S |
|---|---|
| Molecular Weight | 530.23 g/mol |
| LogP | 6.5072 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 530.2338 |
| Heavy Atoms | 37 |
| Complexity | 1094.1481 |
Chemical Identifiers
| CAS Number | 87714-57-6 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC |
Product Overview
Tipelukast (CAS 87714-57-6), with molecular formula C29H38O7S and molecular weight 530.23 g/mol. IUPAC: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid.
Chemical Property Profile of Tipelukast
Property Insights of Tipelukast
The XLogP value of 6.5072 indicates that Tipelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Tipelukast. Following Lipinski's Rule of Five, Tipelukast 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 Tipelukast?
The CAS number of Tipelukast is 87714-57-6.
What is the molecular formula of Tipelukast?
The molecular formula of Tipelukast is C29H38O7S.
What is the molecular weight of Tipelukast?
The molecular weight of Tipelukast is 530.23 g/mol.
Where can I buy Tipelukast?
You can request a quote for Tipelukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tipelukast?
Yes, KEHONG BIO provides custom synthesis services for Tipelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.