RefChem:825890
TL;DR: RefChem:825890 (CAS 330643-81-7) is a chemical compound with molecular formula C21H10F9N3OS2 and molecular weight 555.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
Also Known As: N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-{[3-CYANO-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETAMIDE, 649-033-8, N-(3,5-Bis(trifluoromethyl)phenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl )(2-pyridylthio)]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
| Molecular Formula | C21H10F9N3OS2 |
|---|---|
| Molecular Weight | 555.01 g/mol |
| LogP | 7.46898 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 555.01215 |
| Heavy Atoms | 36 |
| Complexity | 1276.1279 |
Chemical Identifiers
| CAS Number | 330643-81-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
RefChem:825890 (CAS 330643-81-7), with molecular formula C21H10F9N3OS2 and molecular weight 555.01 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:825890
Property Insights of RefChem:825890
The XLogP value of 7.46898 indicates that RefChem:825890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825890. Following Lipinski's Rule of Five, RefChem:825890 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:825890?
The CAS number of RefChem:825890 is 330643-81-7.
What is the molecular formula of RefChem:825890?
The molecular formula of RefChem:825890 is C21H10F9N3OS2.
What is the molecular weight of RefChem:825890?
The molecular weight of RefChem:825890 is 555.01 g/mol.
Where can I buy RefChem:825890?
You can request a quote for RefChem:825890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.