3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol
TL;DR: 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (CAS 223645-68-9) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-5-(3-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol
Also Known As: J1.086.625A, 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol, 3,5-Bis(3-hydroxyphenyl)-4H-1,2,4-triazole-4-amine, 3,3 -(4-Amino-4H-1,2,4-triazole-3,5-diyl)bisphenol, 3,3'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)bisphenol
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 223645-68-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C2=NN=C(N2N)C3=CC(=CC=C3)O |
| InChIKey | HWSRFORBLNBNHO-UHFFFAOYSA-N |
Product Overview
3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (CAS 223645-68-9), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 3-[4-amino-5-(3-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol
Property Insights of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol. Following Lipinski's Rule of Five, 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol has 3 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 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol?
The CAS number of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol is 223645-68-9.
What is the molecular formula of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol?
The molecular formula of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol is C14H12N4O2.
What is the molecular weight of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol?
The molecular weight of 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol is 268.10 g/mol.
Where can I buy 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol?
You can request a quote for 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.