ChemDiv1_010663
TL;DR: ChemDiv1_010663 (CAS 296797-10-9) is a chemical compound with molecular formula C17H12F3N5OS3 and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv1_010663, A0184/0008193, 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)(2-pyridylthio)]-N-(5-ethyl(1,3,4- thiadiazol-2-yl))acetamide
| Molecular Formula | C17H12F3N5OS3 |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 4.84528 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0156 |
| Heavy Atoms | 29 |
| Complexity | 1057.4408 |
Chemical Identifiers
| CAS Number | 296797-10-9 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
ChemDiv1_010663 (CAS 296797-10-9), with molecular formula C17H12F3N5OS3 and molecular weight 455.02 g/mol. IUPAC: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_010663
Property Insights of ChemDiv1_010663
The XLogP value of 4.84528 indicates that ChemDiv1_010663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010663. Following Lipinski's Rule of Five, ChemDiv1_010663 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_010663?
The CAS number of ChemDiv1_010663 is 296797-10-9.
What is the molecular formula of ChemDiv1_010663?
The molecular formula of ChemDiv1_010663 is C17H12F3N5OS3.
What is the molecular weight of ChemDiv1_010663?
The molecular weight of ChemDiv1_010663 is 455.02 g/mol.
Where can I buy ChemDiv1_010663?
You can request a quote for ChemDiv1_010663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010663?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.