(4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone
TL;DR: (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone (CAS 891044-01-2) is a chemical compound with molecular formula C18H13FN4O2S and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
Also Known As: (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone, (4-fluorophenyl)-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone, (4-fluorophenyl){3-(furan-2-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}methanone, 1-(4-FLUOROBENZOYL)-3-(FURAN-2-YL)-N-[(THIOPHEN-2-YL)METHYL]-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C18H13FN4O2S |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 4.0393 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0743 |
| Heavy Atoms | 26 |
| Complexity | 1008.3514 |
Chemical Identifiers
| CAS Number | 891044-01-2 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC=C(C=C4)F |
Product Overview
(4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone (CAS 891044-01-2), with molecular formula C18H13FN4O2S and molecular weight 368.07 g/mol. IUPAC: (4-fluorophenyl)-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone
Property Insights of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone
The XLogP value of 4.0393 indicates that (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone. Following Lipinski's Rule of Five, (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone has 1 hydrogen bond donor(s) and 6 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 (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone?
The CAS number of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone is 891044-01-2.
What is the molecular formula of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone?
The molecular formula of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone is C18H13FN4O2S.
What is the molecular weight of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone?
The molecular weight of (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone is 368.07 g/mol.
Where can I buy (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone?
You can request a quote for (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-fluorophenyl)(3-(furan-2-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.