RefChem:448562
TL;DR: RefChem:448562 (CAS 476483-75-7) is a chemical compound with molecular formula C23H20ClN5OS and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide, 2-((4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide, 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3,5-DIMETHYLPHENYL)ACETAMIDE, 2-((4-(4-Chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C23H20ClN5OS |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 5.33034 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1077 |
| Heavy Atoms | 31 |
| Complexity | 1188.3812 |
Chemical Identifiers
| CAS Number | 476483-75-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C |
Product Overview
RefChem:448562 (CAS 476483-75-7), with molecular formula C23H20ClN5OS and molecular weight 449.11 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:448562
Property Insights of RefChem:448562
The XLogP value of 5.33034 indicates that RefChem:448562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448562. Following Lipinski's Rule of Five, RefChem:448562 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:448562?
The CAS number of RefChem:448562 is 476483-75-7.
What is the molecular formula of RefChem:448562?
The molecular formula of RefChem:448562 is C23H20ClN5OS.
What is the molecular weight of RefChem:448562?
The molecular weight of RefChem:448562 is 449.11 g/mol.
Where can I buy RefChem:448562?
You can request a quote for RefChem:448562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448562?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.