1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-
TL;DR: 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- (CAS 76674-11-8) is a chemical compound with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Also Known As: alpha,alpha-Bis(4-chlorophenyl)-as-triazoleethanol, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-, A,, A-bis(4-chlorophenyl)-1h-1,2,4-triazole-1-ethanol, 1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
| Molecular Formula | C16H13Cl2N3O |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 76674-11-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O)Cl |
| InChIKey | YNPMJBDUDVPVFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- (CAS 76674-11-8), with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol. IUPAC: 1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-
Property Insights of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-
The XLogP value of 3.3 indicates that 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- has 1 hydrogen bond donor(s) and 3 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 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-?
The CAS number of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- is 76674-11-8.
What is the molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-?
The molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- is C16H13Cl2N3O.
What is the molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-?
The molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- is 333.04 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-?
You can request a quote for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.