Diphenytriazol
TL;DR: Diphenytriazol (CAS 69095-83-6) is a chemical compound with molecular formula C17H17N3O and molecular weight 279.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
Also Known As: Contragestazol, Diphenytriazol, ABEN, DL-111-IT, DL111-IT
| Molecular Formula | C17H17N3O |
|---|---|
| Molecular Weight | 279.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.13718 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 69095-83-6 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OC |
| InChIKey | GXCZZAKPGMYPDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenytriazol (CAS 69095-83-6), with molecular formula C17H17N3O and molecular weight 279.14 g/mol. IUPAC: 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of Diphenytriazol
Property Insights of Diphenytriazol
The XLogP value of 4.1 indicates that Diphenytriazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Diphenytriazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenytriazol 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 Diphenytriazol?
The CAS number of Diphenytriazol is 69095-83-6.
What is the molecular formula of Diphenytriazol?
The molecular formula of Diphenytriazol is C17H17N3O.
What is the molecular weight of Diphenytriazol?
The molecular weight of Diphenytriazol is 279.14 g/mol.
Where can I buy Diphenytriazol?
You can request a quote for Diphenytriazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenytriazol?
Yes, KEHONG BIO provides custom synthesis services for Diphenytriazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.