3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-
TL;DR: 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- (CAS 107658-79-7) is a chemical compound with molecular formula C15H17Cl2N3O2 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one
Also Known As: 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 2-(2,4-Dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)heptan-3-one, 2-(2,4-DICHLOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)-3-HEPTANONE
| Molecular Formula | C15H17Cl2N3O2 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.232 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.0698 |
| Heavy Atoms | 22 |
| Complexity | 646.24207 |
Chemical Identifiers
| CAS Number | 107658-79-7 |
|---|---|
| SMILES | CCCCC(=O)C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O |
Product Overview
3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- (CAS 107658-79-7), with molecular formula C15H17Cl2N3O2 and molecular weight 341.07 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)heptan-3-one.
Chemical Property Profile of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-
Property Insights of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 3.232 indicates that 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- has 1 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 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is 107658-79-7.
What is the molecular formula of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is C15H17Cl2N3O2.
What is the molecular weight of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is 341.07 g/mol.
Where can I buy 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.