5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one
TL;DR: 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one (CAS 878414-07-4) is a chemical compound with molecular formula C15H16N4O and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one
Also Known As: BAS 12814416, 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one, 5-p-Tolyl-3-(4H-[1,2,4]triazol-3-ylamino)-cyclohex-2-enone, 5-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one, 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)-2-cyclohexen-1-one
| Molecular Formula | C15H16N4O |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 2.55562 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.13242 |
| Heavy Atoms | 20 |
| Complexity | 628.40295 |
Chemical Identifiers
| CAS Number | 878414-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=NC=NN3 |
Product Overview
5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one (CAS 878414-07-4), with molecular formula C15H16N4O and molecular weight 268.13 g/mol. IUPAC: 5-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one
Property Insights of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one
The XLogP value of 2.55562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one has 2 hydrogen bond donor(s) and 4 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 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one?
The CAS number of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one is 878414-07-4.
What is the molecular formula of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one?
The molecular formula of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one is C15H16N4O.
What is the molecular weight of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one?
The molecular weight of 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one is 268.13 g/mol.
Where can I buy 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one?
You can request a quote for 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylamino)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.