Lab 170250F
TL;DR: Lab 170250F (CAS 94386-64-8) is a chemical compound with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-chlorophenyl)-3-phenyloxiran-2-yl]methyl]-1,2,4-triazole
Also Known As: Lab 170250F, Lab-170250F, 1H-1,2,4-Triazole, 1-((2-(4-chlorophenyl)-3-phenyloxiranyl)methyl)-, 1-[[2-(4-chlorophenyl)-3-phenyloxiran-2-yl]methyl]-1,2,4-triazole, 1H-1,2,4-Triazole,1-[[2-(4-chlorophenyl)-3- phenyloxiranyl]methyl]-
| Molecular Formula | C17H14ClN3O |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.08255 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 94386-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)Cl |
| InChIKey | YGLGKNIVFJHGIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lab 170250F (CAS 94386-64-8), with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol. IUPAC: 1-[[2-(4-chlorophenyl)-3-phenyloxiran-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of Lab 170250F
Property Insights of Lab 170250F
The XLogP value of 3.1 indicates that Lab 170250F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, Lab 170250F exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lab 170250F has 0 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 Lab 170250F?
The CAS number of Lab 170250F is 94386-64-8.
What is the molecular formula of Lab 170250F?
The molecular formula of Lab 170250F is C17H14ClN3O.
What is the molecular weight of Lab 170250F?
The molecular weight of Lab 170250F is 311.08 g/mol.
Where can I buy Lab 170250F?
You can request a quote for Lab 170250F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lab 170250F?
Yes, KEHONG BIO provides custom synthesis services for Lab 170250F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.