ChemDiv1_014308
TL;DR: ChemDiv1_014308 (CAS 389073-12-5) is a chemical compound with molecular formula C20H17F3N4O4S2 and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: ChemDiv1_014308, F0509-2986, 2,3-dimethoxy-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, 2,3-dimethoxy-N-(5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2,3-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C20H17F3N4O4S2 |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 4.5572 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.06433 |
| Heavy Atoms | 33 |
| Complexity | 1154.3337 |
Chemical Identifiers
| CAS Number | 389073-12-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
ChemDiv1_014308 (CAS 389073-12-5), with molecular formula C20H17F3N4O4S2 and molecular weight 498.06 g/mol. IUPAC: 2,3-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of ChemDiv1_014308
Property Insights of ChemDiv1_014308
The XLogP value of 4.5572 indicates that ChemDiv1_014308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014308. Following Lipinski's Rule of Five, ChemDiv1_014308 has 2 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_014308?
The CAS number of ChemDiv1_014308 is 389073-12-5.
What is the molecular formula of ChemDiv1_014308?
The molecular formula of ChemDiv1_014308 is C20H17F3N4O4S2.
What is the molecular weight of ChemDiv1_014308?
The molecular weight of ChemDiv1_014308 is 498.06 g/mol.
Where can I buy ChemDiv1_014308?
You can request a quote for ChemDiv1_014308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014308?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.