![4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid structure](/static/products/340/340302-98-9.png)
4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid
TL;DR: 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid (CAS 340302-98-9) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid
Also Known As: (E)-4-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid, 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoic acid, 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid, 4-[3-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)-2,5-dimethylpyrrolyl]benzoic aci d
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.26604 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 860.7701 |
Chemical Identifiers
| CAS Number | 340302-98-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=N/N3C=NN=C3 |
Product Overview
4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid (CAS 340302-98-9), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid
Property Insights of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid
The XLogP value of 2.26604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid. Following Lipinski's Rule of Five, 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid 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-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid?
The CAS number of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid is 340302-98-9.
What is the molecular formula of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid?
The molecular formula of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid is C16H15N5O2.
What is the molecular weight of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid?
The molecular weight of 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid is 309.12 g/mol.
Where can I buy 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid?
You can request a quote for 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2,5-Dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.