3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol
TL;DR: 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol (CAS 338751-52-3) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol
Also Known As: 3-(1H-1,2,4-Triazol-5-yliminomethyl)-2-benzofuran-1-ol, 3-[(1H-1,2,4-triazol-3-ylamino)methylidene]-2-benzofuran-1-one, 3-[(1H-1,2,4-triazol-5-ylamino)methylene]-2-benzofuran-1(3H)-one, (3Z)-3-{[(1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.0071 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 669.9107 |
Chemical Identifiers
| CAS Number | 338751-52-3 |
|---|---|
| SMILES | C1=CC2=C(OC(=C2C=C1)O)C=NC3=NC=NN3 |
Product Overview
3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol (CAS 338751-52-3), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol.
Chemical Property Profile of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol
Property Insights of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol
The XLogP value of 2.0071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol. Following Lipinski's Rule of Five, 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol 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 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol?
The CAS number of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol is 338751-52-3.
What is the molecular formula of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol?
The molecular formula of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol is C11H8N4O2.
What is the molecular weight of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol?
The molecular weight of 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol is 228.06 g/mol.
Where can I buy 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol?
You can request a quote for 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.