RefChem:296949
TL;DR: RefChem:296949 (CAS 141079-14-3) is a chemical compound with molecular formula C21H14ClF2N3O and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-, 4-(3-Chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymet, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole, BRN 5458558
| Molecular Formula | C21H14ClF2N3O |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 5.4449 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.07935 |
| Heavy Atoms | 28 |
| Complexity | 1098.6011 |
Chemical Identifiers
| CAS Number | 141079-14-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)F |
Product Overview
RefChem:296949 (CAS 141079-14-3), with molecular formula C21H14ClF2N3O and molecular weight 397.08 g/mol. IUPAC: 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole.
Chemical Property Profile of RefChem:296949
Property Insights of RefChem:296949
The XLogP value of 5.4449 indicates that RefChem:296949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, RefChem:296949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296949 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:296949?
The CAS number of RefChem:296949 is 141079-14-3.
What is the molecular formula of RefChem:296949?
The molecular formula of RefChem:296949 is C21H14ClF2N3O.
What is the molecular weight of RefChem:296949?
The molecular weight of RefChem:296949 is 397.08 g/mol.
Where can I buy RefChem:296949?
You can request a quote for RefChem:296949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.