![5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one structure](/static/products/6851/685107-47-5.webp)
5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
TL;DR: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 685107-47-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5T-0881, 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5-(4-dimethylaminophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.0837 |
| Topological Polar Surface Area | 71.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 689.4457 |
Chemical Identifiers
| CAS Number | 685107-47-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2CC(=O)C=C(C2N3C=NC=N3)O |
Product Overview
5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 685107-47-5), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
Property Insights of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
The XLogP value of 2.0837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one. The TPSA of 71.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 5 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-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The CAS number of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 685107-47-5.
What is the molecular formula of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular formula of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is C16H18N4O2.
What is the molecular weight of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular weight of 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 298.14 g/mol.
Where can I buy 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
You can request a quote for 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-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-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.