RefChem:825057
TL;DR: RefChem:825057 (CAS 578718-97-5) is a chemical compound with molecular formula C16H13BrF2N4O2S and molecular weight 441.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-bromo-4,6-difluorophenyl)-2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-{[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, 649-175-0, N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C16H13BrF2N4O2S |
|---|---|
| Molecular Weight | 441.99 g/mol |
| LogP | 4.3295 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.99106 |
| Heavy Atoms | 26 |
| Complexity | 907.4802 |
Chemical Identifiers
| CAS Number | 578718-97-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)C3=CC=CO3 |
Product Overview
RefChem:825057 (CAS 578718-97-5), with molecular formula C16H13BrF2N4O2S and molecular weight 441.99 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:825057
Property Insights of RefChem:825057
The XLogP value of 4.3295 indicates that RefChem:825057 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 RefChem:825057. Following Lipinski's Rule of Five, RefChem:825057 has 1 hydrogen bond donor(s) and 5 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 RefChem:825057?
The CAS number of RefChem:825057 is 578718-97-5.
What is the molecular formula of RefChem:825057?
The molecular formula of RefChem:825057 is C16H13BrF2N4O2S.
What is the molecular weight of RefChem:825057?
The molecular weight of RefChem:825057 is 441.99 g/mol.
Where can I buy RefChem:825057?
You can request a quote for RefChem:825057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.