RefChem:449414
TL;DR: RefChem:449414 (CAS 539811-13-7) is a chemical compound with molecular formula C25H23N7OS and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Also Known As: Salor-int l444871-1ea, 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide, 2-{[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2,6-DIMETHYLPHENYL)ACETAMIDE, 2-{[5-(1H-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide, 2-((5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,6-dimethylphenyl)acetamide
| Molecular Formula | C25H23N7OS |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 4.40794 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.1685 |
| Heavy Atoms | 34 |
| Complexity | 1438.7058 |
Chemical Identifiers
| CAS Number | 539811-13-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4 |
Product Overview
RefChem:449414 (CAS 539811-13-7), with molecular formula C25H23N7OS and molecular weight 469.17 g/mol. IUPAC: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:449414
Property Insights of RefChem:449414
The XLogP value of 4.40794 indicates that RefChem:449414 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449414. Following Lipinski's Rule of Five, RefChem:449414 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 RefChem:449414?
The CAS number of RefChem:449414 is 539811-13-7.
What is the molecular formula of RefChem:449414?
The molecular formula of RefChem:449414 is C25H23N7OS.
What is the molecular weight of RefChem:449414?
The molecular weight of RefChem:449414 is 469.17 g/mol.
Where can I buy RefChem:449414?
You can request a quote for RefChem:449414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449414?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.