RefChem:449054
TL;DR: RefChem:449054 (CAS 328285-76-3) is a chemical compound with molecular formula C18H14N6O2S3 and molecular weight 442.03 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-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: A2560/0109057, 2-[(4-CYANO-3-{[2-OXO-2-(2-PYRIDINYLAMINO)ETHYL]SULFANYL}-5-ISOTHIAZOLYL)SULFANYL]-N-(2-PYRIDINYL)ACETAMIDE, 2-[[4-cyano-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-ylacetamide, 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]bis(N-2-pyridinylacetamide), 2,2'-((4-Cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(pyridin-2-yl)acetamide)
| Molecular Formula | C18H14N6O2S3 |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 3.26638 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.03403 |
| Heavy Atoms | 29 |
| Complexity | 946.0806 |
Chemical Identifiers
| CAS Number | 328285-76-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC=N3)C#N |
Product Overview
RefChem:449054 (CAS 328285-76-3), with molecular formula C18H14N6O2S3 and molecular weight 442.03 g/mol. IUPAC: 2-[[4-cyano-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of RefChem:449054
Property Insights of RefChem:449054
The XLogP value of 3.26638 indicates that RefChem:449054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449054. Following Lipinski's Rule of Five, RefChem:449054 has 2 hydrogen bond donor(s) and 9 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:449054?
The CAS number of RefChem:449054 is 328285-76-3.
What is the molecular formula of RefChem:449054?
The molecular formula of RefChem:449054 is C18H14N6O2S3.
What is the molecular weight of RefChem:449054?
The molecular weight of RefChem:449054 is 442.03 g/mol.
Where can I buy RefChem:449054?
You can request a quote for RefChem:449054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.