RefChem:449479
TL;DR: RefChem:449479 (CAS 303103-56-2) is a chemical compound with molecular formula C25H22BrN5OS and molecular weight 519.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethylphenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethylphenyl)methylidene]acetohydrazide, (E)-2-((5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethylbenzylidene)acetohydrazide, 2-((5-(4-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(4-ethylphenyl)methylidene)acetohydrazide, 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethylphenyl)methylideneamino]acetamide, 652-197-3
| Molecular Formula | C25H22BrN5OS |
|---|---|
| Molecular Weight | 519.07 g/mol |
| LogP | 5.5016 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.0728 |
| Heavy Atoms | 33 |
| Complexity | 1238.2997 |
Chemical Identifiers
| CAS Number | 303103-56-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
RefChem:449479 (CAS 303103-56-2), with molecular formula C25H22BrN5OS and molecular weight 519.07 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethylphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449479
Property Insights of RefChem:449479
The XLogP value of 5.5016 indicates that RefChem:449479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449479. Following Lipinski's Rule of Five, RefChem:449479 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449479?
The CAS number of RefChem:449479 is 303103-56-2.
What is the molecular formula of RefChem:449479?
The molecular formula of RefChem:449479 is C25H22BrN5OS.
What is the molecular weight of RefChem:449479?
The molecular weight of RefChem:449479 is 519.07 g/mol.
Where can I buy RefChem:449479?
You can request a quote for RefChem:449479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449479?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.