![N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine structure](/static/products/593/593272-49-2.png)
N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine
TL;DR: N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 593272-49-2) is a chemical compound with molecular formula C15H13Cl2N5 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine, 1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-N-((1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C15H13Cl2N5 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 3.87464 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0548 |
| Heavy Atoms | 22 |
| Complexity | 833.99243 |
Chemical Identifiers
| CAS Number | 593272-49-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)/C=N/N3C=NN=C3 |
Product Overview
N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 593272-49-2), with molecular formula C15H13Cl2N5 and molecular weight 333.05 g/mol. IUPAC: (E)-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine
Property Insights of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine
The XLogP value of 3.87464 indicates that N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-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-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-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-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The CAS number of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine is 593272-49-2.
What is the molecular formula of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular formula of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine is C15H13Cl2N5.
What is the molecular weight of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular weight of N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine is 333.05 g/mol.
Where can I buy N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine?
You can request a quote for N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-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-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.