5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
TL;DR: 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione (CAS 439110-59-5) is a chemical compound with molecular formula C14H12ClN3O2 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione
Also Known As: 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione, 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-quinone
| Molecular Formula | C14H12ClN3O2 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 2.1884 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0618 |
| Heavy Atoms | 20 |
| Complexity | 654.1984 |
Chemical Identifiers
| CAS Number | 439110-59-5 |
|---|---|
| SMILES | C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC(=CC=C3)Cl |
Product Overview
5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione (CAS 439110-59-5), with molecular formula C14H12ClN3O2 and molecular weight 289.06 g/mol. IUPAC: 5-(3-chlorophenyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
Property Insights of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione
The XLogP value of 2.1884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione has 0 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-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The CAS number of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is 439110-59-5.
What is the molecular formula of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The molecular formula of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is C14H12ClN3O2.
What is the molecular weight of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
The molecular weight of 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione is 289.06 g/mol.
Where can I buy 5-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
You can request a quote for 5-(3-chlorophenyl)-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-(3-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chlorophenyl)-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.