4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-03-3) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
Also Known As: 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one, 4-(4-methoxyphenyl)-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 0.88802 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 551.59894 |
Chemical Identifiers
| CAS Number | 861206-03-3 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)C |
Product Overview
4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-03-3), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 0.88802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 861206-03-3.
What is the molecular formula of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C11H13N3O2.
What is the molecular weight of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 219.10 g/mol.
Where can I buy 4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(4-methoxyphenyl)-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-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methoxyphenyl)-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.