Montelukast Impurity 36
TL;DR: Montelukast Impurity 36 (CAS 287930-78-3) is a chemical compound with molecular formula C28H24ClNO3 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
Also Known As: Montelukast Impurity 36, (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate, (S,E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate, Montelukast Related Impurity 4, Montelukast (3S)-Hydroxy Benzoate
| Molecular Formula | C28H24ClNO3 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 6.5114 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.14447 |
| Heavy Atoms | 33 |
| Complexity | 1315.5427 |
Chemical Identifiers
| CAS Number | 287930-78-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O |
Product Overview
Montelukast Impurity 36 (CAS 287930-78-3), with molecular formula C28H24ClNO3 and molecular weight 457.14 g/mol. IUPAC: methyl 2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate.
Chemical Property Profile of Montelukast Impurity 36
Property Insights of Montelukast Impurity 36
The XLogP value of 6.5114 indicates that Montelukast Impurity 36 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.42 Ų, Montelukast Impurity 36 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Montelukast Impurity 36 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Montelukast Impurity 36?
The CAS number of Montelukast Impurity 36 is 287930-78-3.
What is the molecular formula of Montelukast Impurity 36?
The molecular formula of Montelukast Impurity 36 is C28H24ClNO3.
What is the molecular weight of Montelukast Impurity 36?
The molecular weight of Montelukast Impurity 36 is 457.14 g/mol.
Where can I buy Montelukast Impurity 36?
You can request a quote for Montelukast Impurity 36 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Montelukast Impurity 36?
Yes, KEHONG BIO provides custom synthesis services for Montelukast Impurity 36 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.