3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one
TL;DR: 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one (CAS 685107-28-2) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
Also Known As: 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one, 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one, 4T-0889, 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 2.0435 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 775.6147 |
Chemical Identifiers
| CAS Number | 685107-28-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2CC(=O)C=C(C2N3C=NC=N3)O |
Product Overview
3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one (CAS 685107-28-2), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: 3-hydroxy-4-(1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one
Property Insights of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one
The XLogP value of 2.0435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 7 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 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one?
The CAS number of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one is 685107-28-2.
What is the molecular formula of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one?
The molecular formula of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one is C17H19N3O5.
What is the molecular weight of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one?
The molecular weight of 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one is 345.13 g/mol.
Where can I buy 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one?
You can request a quote for 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-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 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.