RefChem:449594
TL;DR: RefChem:449594 (CAS 303107-36-0) is a chemical compound with molecular formula C27H28N6OS and molecular weight 484.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide, 2-{[5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-1-(4-PYRIDINYL)ETHYLIDENE]ACETOHYDRAZIDE, (E)-2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(pyridin-4-yl)ethylidene)acetohydrazide, 2-((5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-1-(4-PYRIDINYL)ETHYLIDENE)ACETOHYDRAZIDE, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
| Molecular Formula | C27H28N6OS |
|---|---|
| Molecular Weight | 484.20 g/mol |
| LogP | 5.2593 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.20453 |
| Heavy Atoms | 35 |
| Complexity | 1309.551 |
Chemical Identifiers
| CAS Number | 303107-36-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)/C4=CC=NC=C4 |
Product Overview
RefChem:449594 (CAS 303107-36-0), with molecular formula C27H28N6OS and molecular weight 484.20 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.
Chemical Property Profile of RefChem:449594
Property Insights of RefChem:449594
The XLogP value of 5.2593 indicates that RefChem:449594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449594. Following Lipinski's Rule of Five, RefChem:449594 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449594?
The CAS number of RefChem:449594 is 303107-36-0.
What is the molecular formula of RefChem:449594?
The molecular formula of RefChem:449594 is C27H28N6OS.
What is the molecular weight of RefChem:449594?
The molecular weight of RefChem:449594 is 484.20 g/mol.
Where can I buy RefChem:449594?
You can request a quote for RefChem:449594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449594?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.