RefChem:448891
TL;DR: RefChem:448891 (CAS 483969-13-7) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: BAS 03205345, 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide, 2-(4-Benzyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-o-tolyl-acetamide, N-(2-methylphenyl)-2-[4-benzyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]aceta mide
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 4.94462 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1163.0526 |
Chemical Identifiers
| CAS Number | 483969-13-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
RefChem:448891 (CAS 483969-13-7), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of RefChem:448891
Property Insights of RefChem:448891
The XLogP value of 4.94462 indicates that RefChem:448891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448891. Following Lipinski's Rule of Five, RefChem:448891 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:448891?
The CAS number of RefChem:448891 is 483969-13-7.
What is the molecular formula of RefChem:448891?
The molecular formula of RefChem:448891 is C25H24N4O2S.
What is the molecular weight of RefChem:448891?
The molecular weight of RefChem:448891 is 444.16 g/mol.
Where can I buy RefChem:448891?
You can request a quote for RefChem:448891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.