(2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid
TL;DR: (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid (CAS 305353-77-9) is a chemical compound with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid
Also Known As: BAS 00922905, [2-([1,2,4]Triazol-4-yliminomethyl)-phenoxy]-acetic acid, 2-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid, {2-[(Z)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}acetic acid, (2-((4H-1,2,4-TRIAZOL-4-YLIMINO)METHYL)PHENOXY)ACETIC ACID
| Molecular Formula | C11H10N4O3 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 0.6237 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.07529 |
| Heavy Atoms | 18 |
| Complexity | 551.1758 |
Chemical Identifiers
| CAS Number | 305353-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N\N2C=NN=C2)OCC(=O)O |
Product Overview
(2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid (CAS 305353-77-9), with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol. IUPAC: 2-[2-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid.
Chemical Property Profile of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid
Property Insights of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid
The XLogP value of 0.6237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid has 1 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 (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid?
The CAS number of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid is 305353-77-9.
What is the molecular formula of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid?
The molecular formula of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid is C11H10N4O3.
What is the molecular weight of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid?
The molecular weight of (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid is 246.08 g/mol.
Where can I buy (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid?
You can request a quote for (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-((4H-1,2,4-Triazol-4-ylimino)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.