Dichlorophenyl-bis-triazolylpropanol
TL;DR: Dichlorophenyl-bis-triazolylpropanol (CAS 86547-16-2) is a chemical compound with molecular formula C13H12Cl2N6O and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Also Known As: Dichlorophenyl-bis-triazolylpropanol, NCI60_018173, 2-(2,4-Dichlorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol, 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol, 2-(2,4-Dichlorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol
| Molecular Formula | C13H12Cl2N6O |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.04495 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 86547-16-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)(CN3C=NC=N3)O |
| InChIKey | CMGCKUPKNSSPER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichlorophenyl-bis-triazolylpropanol (CAS 86547-16-2), with molecular formula C13H12Cl2N6O and molecular weight 338.04 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.
Chemical Property Profile of Dichlorophenyl-bis-triazolylpropanol
Property Insights of Dichlorophenyl-bis-triazolylpropanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichlorophenyl-bis-triazolylpropanol. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichlorophenyl-bis-triazolylpropanol. Following Lipinski's Rule of Five, Dichlorophenyl-bis-triazolylpropanol 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 Dichlorophenyl-bis-triazolylpropanol?
The CAS number of Dichlorophenyl-bis-triazolylpropanol is 86547-16-2.
What is the molecular formula of Dichlorophenyl-bis-triazolylpropanol?
The molecular formula of Dichlorophenyl-bis-triazolylpropanol is C13H12Cl2N6O.
What is the molecular weight of Dichlorophenyl-bis-triazolylpropanol?
The molecular weight of Dichlorophenyl-bis-triazolylpropanol is 338.04 g/mol.
Where can I buy Dichlorophenyl-bis-triazolylpropanol?
You can request a quote for Dichlorophenyl-bis-triazolylpropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichlorophenyl-bis-triazolylpropanol?
Yes, KEHONG BIO provides custom synthesis services for Dichlorophenyl-bis-triazolylpropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.