RefChem:1060542
TL;DR: RefChem:1060542 (CAS 81863-83-4) is a chemical compound with molecular formula C24H20ClN5O2S2 and molecular weight 509.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
Also Known As: Acetamide, 2-((5-(((4-chlorophenyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-((phenylamino)carbonyl)-, 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide, 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazo, 2-((5-(((4-Chlorophenyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-((phenylamino)carbonyl)acetamide, 2-[(5-{[(4-Chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide
| Molecular Formula | C24H20ClN5O2S2 |
|---|---|
| Molecular Weight | 509.07 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.0747 |
| Heavy Atoms | 34 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 81863-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl |
| InChIKey | KDEMCRJWMLBOIG-UHFFFAOYSA-N |
Product Overview
RefChem:1060542 (CAS 81863-83-4), with molecular formula C24H20ClN5O2S2 and molecular weight 509.07 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide.
Chemical Property Profile of RefChem:1060542
Property Insights of RefChem:1060542
The XLogP value of 5.7 indicates that RefChem:1060542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:1060542 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1060542 has 2 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:1060542?
The CAS number of RefChem:1060542 is 81863-83-4.
What is the molecular formula of RefChem:1060542?
The molecular formula of RefChem:1060542 is C24H20ClN5O2S2.
What is the molecular weight of RefChem:1060542?
The molecular weight of RefChem:1060542 is 509.07 g/mol.
Where can I buy RefChem:1060542?
You can request a quote for RefChem:1060542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060542?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.