C14H9BrFN5S
TL;DR: C14H9BrFN5S (CAS 497244-58-3) is a chemical compound with molecular formula C14H9BrFN5S and molecular weight 376.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((5-bromo-2-fluorobenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3- thiol, 4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H9BrFN5S |
|---|---|
| Molecular Weight | 376.97 g/mol |
| LogP | 3.78649 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.9746 |
| Heavy Atoms | 22 |
| Complexity | 887.7489 |
Chemical Identifiers
| CAS Number | 497244-58-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)/C=N/N2C(=NNC2=S)C3=CC=NC=C3)F |
Product Overview
C14H9BrFN5S (CAS 497244-58-3), with molecular formula C14H9BrFN5S and molecular weight 376.97 g/mol. IUPAC: 4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C14H9BrFN5S
Property Insights of C14H9BrFN5S
The XLogP value of 3.78649 indicates that C14H9BrFN5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, C14H9BrFN5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H9BrFN5S has 1 hydrogen bond donor(s) and 4 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 C14H9BrFN5S?
The CAS number of C14H9BrFN5S is 497244-58-3.
What is the molecular formula of C14H9BrFN5S?
The molecular formula of C14H9BrFN5S is C14H9BrFN5S.
What is the molecular weight of C14H9BrFN5S?
The molecular weight of C14H9BrFN5S is 376.97 g/mol.
Where can I buy C14H9BrFN5S?
You can request a quote for C14H9BrFN5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H9BrFN5S?
Yes, KEHONG BIO provides custom synthesis services for C14H9BrFN5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.