Pobilukast
TL;DR: Pobilukast (CAS 107023-41-6) is a chemical compound with molecular formula C26H34O5S and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid
Also Known As: Pobilukast, Pobilukast [INN], pobilukastum, Pobilkast, SKF 104353
| Molecular Formula | C26H34O5S |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 458.2127 |
| Heavy Atoms | 32 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 107023-41-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]([C@H](C(=O)O)O)SCCC(=O)O |
| InChIKey | PZIFPMYXXCAOCC-JWQCQUIFSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pobilukast (CAS 107023-41-6), with molecular formula C26H34O5S and molecular weight 458.21 g/mol. IUPAC: (2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid.
Chemical Property Profile of Pobilukast
Property Insights of Pobilukast
The XLogP value of 6.3 indicates that Pobilukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pobilukast. Following Lipinski's Rule of Five, Pobilukast 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 Pobilukast?
The CAS number of Pobilukast is 107023-41-6.
What is the molecular formula of Pobilukast?
The molecular formula of Pobilukast is C26H34O5S.
What is the molecular weight of Pobilukast?
The molecular weight of Pobilukast is 458.21 g/mol.
Where can I buy Pobilukast?
You can request a quote for Pobilukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pobilukast?
Yes, KEHONG BIO provides custom synthesis services for Pobilukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.