托孟司特
TL;DR: 托孟司特 (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.
托孟司特
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
托孟司特 (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 托孟司特
Property Insights of 托孟司特
The XLogP value of 3.7 indicates that 托孟司特 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 托孟司特. Following Lipinski's Rule of Five, 托孟司特 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 托孟司特?
The CAS number of 托孟司特 is 88107-10-2.
What is the molecular formula of 托孟司特?
The molecular formula of 托孟司特 is C16H22N4O3.
What is the molecular weight of 托孟司特?
The molecular weight of 托孟司特 is 318.17 g/mol.
Where can I buy 托孟司特?
You can request a quote for 托孟司特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托孟司特?
Yes, KEHONG BIO provides custom synthesis services for 托孟司特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.