![4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid structure](/static/products/690/690969-89-2.png)
4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
TL;DR: 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid (CAS 690969-89-2) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid
Also Known As: 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid, (E)-4-((2-(((4H-1,2,4-triazol-4-yl)imino)methyl)-6-methoxyphenoxy)methyl)benzoic acid, 4-[[2-methoxy-6-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]benzoic Acid, 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.4461 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 905.4503 |
Chemical Identifiers
| CAS Number | 690969-89-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)/C=N/N3C=NN=C3 |
Product Overview
4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid (CAS 690969-89-2), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
Property Insights of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
The XLogP value of 2.4461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid has 1 hydrogen bond donor(s) and 6 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-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid?
The CAS number of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid is 690969-89-2.
What is the molecular formula of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid?
The molecular formula of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid is C18H16N4O4.
What is the molecular weight of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid?
The molecular weight of 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid is 352.12 g/mol.
Where can I buy 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid?
You can request a quote for 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)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-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-methoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.