托孟鲁司
TL;DR: 托孟鲁司 (CAS 88107-10-2) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托孟鲁司
1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
Also Known As: Tomelukast, Tomelukastum, LY 171883, Tomelukastum [INN-Latin], Compound LY171883
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 88107-10-2 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2 |
| InChIKey | MWYHLEQJTQJHSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托孟鲁司 (CAS 88107-10-2), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone.
Chemical Property Profile of 托孟鲁司
Property Insights of 托孟鲁司
The XLogP value of 3.7 indicates that Tomelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 托孟鲁司. Following Lipinski's Rule of Five, Tomelukast has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tomelukast?
The CAS number of Tomelukast is 88107-10-2.
What is the molecular formula of Tomelukast?
The molecular formula of Tomelukast is C16H22N4O3.
What is the molecular weight of Tomelukast?
The molecular weight of Tomelukast is 318.17 g/mol.
Where can I buy Tomelukast?
You can request a quote for Tomelukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tomelukast?
Yes, KEHONG BIO provides custom synthesis services for Tomelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.