![N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine structure](/static/products/677/677730-56-2.png)
N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
TL;DR: N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 677730-56-2) is a chemical compound with molecular formula C14H12ClN5 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine, (E)-1-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine, 1-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine, N-{[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylene}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C14H12ClN5 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 2.91282 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.07812 |
| Heavy Atoms | 20 |
| Complexity | 742.77734 |
Chemical Identifiers
| CAS Number | 677730-56-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C=CC=C2/C=N/N3C=NN=C3)Cl |
Product Overview
N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 677730-56-2), with molecular formula C14H12ClN5 and molecular weight 285.08 g/mol. IUPAC: (E)-1-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
Property Insights of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
The XLogP value of 2.91282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 48.0 Ų, N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 3 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 N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The CAS number of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is 677730-56-2.
What is the molecular formula of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular formula of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is C14H12ClN5.
What is the molecular weight of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular weight of N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is 285.08 g/mol.
Where can I buy N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
You can request a quote for N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.