5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
TL;DR: 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione (CAS 439112-22-8) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione
Also Known As: 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione, 5-(furan-2-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 5-(furan-2-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 8R-0801, 5-(2-furyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.128 |
| Topological Polar Surface Area | 77.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 559.42163 |
Chemical Identifiers
| CAS Number | 439112-22-8 |
|---|---|
| SMILES | C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC=CO3 |
Product Overview
5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione (CAS 439112-22-8), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 5-(furan-2-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
Property Insights of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
The XLogP value of 1.128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione. The TPSA of 77.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione has 0 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-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The CAS number of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is 439112-22-8.
What is the molecular formula of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The molecular formula of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is C12H11N3O3.
What is the molecular weight of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The molecular weight of 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is 245.08 g/mol.
Where can I buy 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
You can request a quote for 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-furyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.