4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)
TL;DR: 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) (CAS 160455-71-0) is a chemical compound with molecular formula C13H18N6O4 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[3-methyl-1-(oxiran-2-ylmethyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-2-(oxiran-2-ylmethyl)-1,2,4-triazol-3-one
Also Known As: 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one), 3H-1,2,4-Triazol-3-one, 4,4'-methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-, 4,4'-methylenebis(3-methyl-1-(oxiran-2-ylmethyl)-1H-1,2,4-triazol-5(4H)-one), 4,4 -Methylenebis[1-glycidyl-3-methyl-1H-1,2,4-triazol-5(4H)-one], 4,4'-Methylenebis{5-methyl-2-[(oxiran-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one}
| Molecular Formula | C13H18N6O4 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -1.67676 |
| Topological Polar Surface Area | 104.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.13895 |
| Heavy Atoms | 23 |
| Complexity | 780.67224 |
Chemical Identifiers
| CAS Number | 160455-71-0 |
|---|---|
| SMILES | CC1=NN(C(=O)N1CN2C(=NN(C2=O)CC3CO3)C)CC4CO4 |
Product Overview
4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) (CAS 160455-71-0), with molecular formula C13H18N6O4 and molecular weight 322.14 g/mol. IUPAC: 5-methyl-4-[[3-methyl-1-(oxiran-2-ylmethyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-2-(oxiran-2-ylmethyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)
Property Insights of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)
The XLogP value of -1.67676 indicates that 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one). Following Lipinski's Rule of Five, 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) has 0 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 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)?
The CAS number of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) is 160455-71-0.
What is the molecular formula of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)?
The molecular formula of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) is C13H18N6O4.
What is the molecular weight of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)?
The molecular weight of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) is 322.14 g/mol.
Where can I buy 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)?
You can request a quote for 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.