Sulukast
TL;DR: Sulukast (CAS 98116-53-1) is a chemical compound with molecular formula C25H36N4O3S and molecular weight 472.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
Also Known As: Sulukast, Sulukastum, Sulukast [USAN:INN], Sulukastum [INN-Latin], SULUKAST [USAN]
| Molecular Formula | C25H36N4O3S |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 5.7297 |
| Topological Polar Surface Area | 111.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 472.25082 |
| Heavy Atoms | 33 |
| Complexity | 855.09674 |
Chemical Identifiers
| CAS Number | 98116-53-1 |
|---|---|
| SMILES | CCCCCCCCC/C=C\C=C\[C@H]([C@H](C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O |
Product Overview
Sulukast (CAS 98116-53-1), with molecular formula C25H36N4O3S and molecular weight 472.25 g/mol. IUPAC: 3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid.
Chemical Property Profile of Sulukast
Property Insights of Sulukast
The XLogP value of 5.7297 indicates that Sulukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulukast. Following Lipinski's Rule of Five, Sulukast has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulukast?
The CAS number of Sulukast is 98116-53-1.
What is the molecular formula of Sulukast?
The molecular formula of Sulukast is C25H36N4O3S.
What is the molecular weight of Sulukast?
The molecular weight of Sulukast is 472.25 g/mol.
Where can I buy Sulukast?
You can request a quote for Sulukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulukast?
Yes, KEHONG BIO provides custom synthesis services for Sulukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.