![4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol structure](/static/products/444/444545-01-1.png)
4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol
TL;DR: 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol (CAS 444545-01-1) is a chemical compound with molecular formula C13H11N5O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]phenol
Also Known As: 4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]phenol, 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol, (E)-4-(2-(((4H-1,2,4-triazol-4-yl)imino)methyl)-1H-pyrrol-1-yl)phenol, 4-{2-[(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol
| Molecular Formula | C13H11N5O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 1.6566 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09636 |
| Heavy Atoms | 19 |
| Complexity | 682.1641 |
Chemical Identifiers
| CAS Number | 444545-01-1 |
|---|---|
| SMILES | C1=CN(C(=C1)/C=N/N2C=NN=C2)C3=CC=C(C=C3)O |
Product Overview
4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol (CAS 444545-01-1), with molecular formula C13H11N5O and molecular weight 253.10 g/mol. IUPAC: 4-[2-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]phenol.
Chemical Property Profile of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol
Property Insights of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol
The XLogP value of 1.6566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol. Following Lipinski's Rule of Five, 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol has 1 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 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol?
The CAS number of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol is 444545-01-1.
What is the molecular formula of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol?
The molecular formula of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol is C13H11N5O.
What is the molecular weight of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol?
The molecular weight of 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol is 253.10 g/mol.
Where can I buy 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol?
You can request a quote for 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.