RefChem:448550
TL;DR: RefChem:448550 (CAS 586991-76-6) is a chemical compound with molecular formula C25H18ClN5OS and molecular weight 471.09 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-naphthalen-1-ylacetamide
Also Known As: AB00722888-01, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-((4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1-NAPHTHYL)ACETAMIDE, 2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-naphthylacetami de
| Molecular Formula | C25H18ClN5OS |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 5.8667 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.09207 |
| Heavy Atoms | 33 |
| Complexity | 1414.9923 |
Chemical Identifiers
| CAS Number | 586991-76-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
RefChem:448550 (CAS 586991-76-6), with molecular formula C25H18ClN5OS and molecular weight 471.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of RefChem:448550
Property Insights of RefChem:448550
The XLogP value of 5.8667 indicates that RefChem:448550 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:448550. Following Lipinski's Rule of Five, RefChem:448550 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:448550?
The CAS number of RefChem:448550 is 586991-76-6.
What is the molecular formula of RefChem:448550?
The molecular formula of RefChem:448550 is C25H18ClN5OS.
What is the molecular weight of RefChem:448550?
The molecular weight of RefChem:448550 is 471.09 g/mol.
Where can I buy RefChem:448550?
You can request a quote for RefChem:448550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448550?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.