孟鲁司特
TL;DR: 孟鲁司特 (CAS 158966-92-8) is a chemical compound with molecular formula C35H36ClNO3S and molecular weight 585.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
孟鲁司特
2-[1-[[1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Also Known As: montelukast, cis-Montelukast, Apxi toxin, Montelukast-d6, (S)-montelukast
| Molecular Formula | C35H36ClNO3S |
|---|---|
| Molecular Weight | 585.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.21045 |
| Heavy Atoms | 41 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 158966-92-8 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
| InChIKey | UCHDWCPVSPXUMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
孟鲁司特 (CAS 158966-92-8), with molecular formula C35H36ClNO3S and molecular weight 585.21 g/mol. IUPAC: 2-[1-[[1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid.
Chemical Property Profile of 孟鲁司特
Property Insights of 孟鲁司特
The XLogP value of 7.7 indicates that 孟鲁司特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 孟鲁司特. Following Lipinski's Rule of Five, 孟鲁司特 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 孟鲁司特?
The CAS number of 孟鲁司特 is 158966-92-8.
What is the molecular formula of 孟鲁司特?
The molecular formula of 孟鲁司特 is C35H36ClNO3S.
What is the molecular weight of 孟鲁司特?
The molecular weight of 孟鲁司特 is 585.21 g/mol.
Where can I buy 孟鲁司特?
You can request a quote for 孟鲁司特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 孟鲁司特?
Yes, KEHONG BIO provides custom synthesis services for 孟鲁司特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.