![1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine structure](/static/products/597/597544-84-8.png)
1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
TL;DR: 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (CAS 597544-84-8) is a chemical compound with molecular formula C22H20ClN5O and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, N-[(1-{4-[(4-chlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-4H-1,2,4-triazol-4-amine, N-[(E)-(1-{4-[(4-chlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4H-1,2,4-triazol-4-amine, (E)-[1-[4-(4-chlorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine
| Molecular Formula | C22H20ClN5O |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 4.80024 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13565 |
| Heavy Atoms | 29 |
| Complexity | 1113.4863 |
Chemical Identifiers
| CAS Number | 597544-84-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C)/C=N/N4C=NN=C4 |
Product Overview
1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (CAS 597544-84-8), with molecular formula C22H20ClN5O and molecular weight 405.14 g/mol. IUPAC: (E)-1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
Property Insights of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
The XLogP value of 4.80024 indicates that 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine has 0 hydrogen bond donor(s) and 4 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 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The CAS number of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is 597544-84-8.
What is the molecular formula of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The molecular formula of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is C22H20ClN5O.
What is the molecular weight of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The molecular weight of 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is 405.14 g/mol.
Where can I buy 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
You can request a quote for 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.