1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate
TL;DR: 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate (CAS 69226-78-4) is a chemical compound with molecular formula C22H26N12O5 and molecular weight 538.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-[4-[3-(carbamoylamino)-1H-1,2,4-triazol-5-yl]phenyl]acetamide);hydrate
Also Known As: 5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate, C11H12N6O2.1/2H2O, 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate, C11-H12-N6-O2.1/2H2-O, Acetamide, N-(p-(3-ureido-5-(1H)-1,2,4-triazolyl)phenyl)-, hemihydrate
| Molecular Formula | C22H26N12O5 |
|---|---|
| Molecular Weight | 538.21 g/mol |
| LogP | 1.0167 |
| Topological Polar Surface Area | 283.08 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.2149 |
| Heavy Atoms | 39 |
| Complexity | 1320.6556 |
Chemical Identifiers
| CAS Number | 69226-78-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N.O |
Product Overview
1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate (CAS 69226-78-4), with molecular formula C22H26N12O5 and molecular weight 538.21 g/mol. IUPAC: bis(N-[4-[3-(carbamoylamino)-1H-1,2,4-triazol-5-yl]phenyl]acetamide);hydrate.
Chemical Property Profile of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate
Property Insights of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate
The XLogP value of 1.0167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate. The TPSA of 283.08 Ų indicates high polarity, suggesting 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate?
The CAS number of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate is 69226-78-4.
What is the molecular formula of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate?
The molecular formula of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate is C22H26N12O5.
What is the molecular weight of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate?
The molecular weight of 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate is 538.21 g/mol.
Where can I buy 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate?
You can request a quote for 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.