![4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/860/860786-70-5.png)
4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-70-5) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one
Also Known As: 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 2,5-dimethyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one, 4-[4-(benzyloxy)phenyl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-(4-benzyloxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one, 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-1,2,4-triazol-3-one
| Molecular Formula | C17H17N3O2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.45842 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.13208 |
| Heavy Atoms | 22 |
| Complexity | 817.3604 |
Chemical Identifiers
| CAS Number | 860786-70-5 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C |
Product Overview
4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-70-5), with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol. IUPAC: 2,5-dimethyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.45842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 49.05 Ų, 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 3 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-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 860786-70-5.
What is the molecular formula of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C17H17N3O2.
What is the molecular weight of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 295.13 g/mol.
Where can I buy 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-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-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.