RefChem:449052
TL;DR: RefChem:449052 (CAS 477313-49-8) is a chemical compound with molecular formula C24H16N8O2S5 and molecular weight 608.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-3-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: 2,2'-((4-Cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide), 2-((4-Cyano-3-((2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-YL)amino)ethyl)sul fanyl)-5-isothiazolyl)sulfanyl)-N-(5-phenyl-1,3,4-thiadiazol-2-YL)acetam ide, 2-[[4-cyano-3-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[4-CYANO-3-({2-OXO-2-[(5-PHENYL-1,3,4-THIADIAZOL-2-YL)AMINO]ETHYL}SUL FANYL)-5-ISOTHIAZOLYL]SULFANYL}-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)ACETAM IDE, 2-{[4-cyano-3-({2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C24H16N8O2S5 |
|---|---|
| Molecular Weight | 608.00 g/mol |
| LogP | 5.51338 |
| Topological Polar Surface Area | 146.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.0 |
| Heavy Atoms | 39 |
| Complexity | 1515.6892 |
Chemical Identifiers
| CAS Number | 477313-49-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CSC3=C(C(=NS3)SCC(=O)NC4=NN=C(S4)C5=CC=CC=C5)C#N |
Product Overview
RefChem:449052 (CAS 477313-49-8), with molecular formula C24H16N8O2S5 and molecular weight 608.00 g/mol. IUPAC: 2-[[4-cyano-3-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of RefChem:449052
Property Insights of RefChem:449052
The XLogP value of 5.51338 indicates that RefChem:449052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.44 Ų indicates high polarity, suggesting RefChem:449052 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:449052 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449052?
The CAS number of RefChem:449052 is 477313-49-8.
What is the molecular formula of RefChem:449052?
The molecular formula of RefChem:449052 is C24H16N8O2S5.
What is the molecular weight of RefChem:449052?
The molecular weight of RefChem:449052 is 608.00 g/mol.
Where can I buy RefChem:449052?
You can request a quote for RefChem:449052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.