(E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid
TL;DR: (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid (CAS 347386-89-4) is a chemical compound with molecular formula C17H15N5O4 and molecular weight 353.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid
Also Known As: (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid, 5-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid, 5-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzene-1,3-dicarboxylic Acid, 5-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H15N5O4 |
|---|---|
| Molecular Weight | 353.11 g/mol |
| LogP | 1.96424 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1124 |
| Heavy Atoms | 26 |
| Complexity | 985.9553 |
Chemical Identifiers
| CAS Number | 347386-89-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=N/N3C=NN=C3 |
Product Overview
(E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid (CAS 347386-89-4), with molecular formula C17H15N5O4 and molecular weight 353.11 g/mol. IUPAC: 5-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid
Property Insights of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid
The XLogP value of 1.96424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid. Following Lipinski's Rule of Five, (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid has 2 hydrogen bond donor(s) and 5 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 (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid?
The CAS number of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid is 347386-89-4.
What is the molecular formula of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid?
The molecular formula of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid is C17H15N5O4.
What is the molecular weight of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid?
The molecular weight of (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid is 353.11 g/mol.
Where can I buy (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid?
You can request a quote for (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.