7K-580S
TL;DR: 7K-580S (CAS 339013-89-7) is a chemical compound with molecular formula C12H10F3N3OS2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 7K-580S, 2-[(2-methylphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(2-methylphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C12H10F3N3OS2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.59612 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.02173 |
| Heavy Atoms | 21 |
| Complexity | 642.67303 |
Chemical Identifiers
| CAS Number | 339013-89-7 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC(=O)NC2=NN=C(S2)C(F)(F)F |
Product Overview
7K-580S (CAS 339013-89-7), with molecular formula C12H10F3N3OS2 and molecular weight 333.02 g/mol. IUPAC: 2-(2-methylphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 7K-580S
Property Insights of 7K-580S
The XLogP value of 3.59612 indicates that 7K-580S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 7K-580S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7K-580S has 1 hydrogen bond donor(s) and 5 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 7K-580S?
The CAS number of 7K-580S is 339013-89-7.
What is the molecular formula of 7K-580S?
The molecular formula of 7K-580S is C12H10F3N3OS2.
What is the molecular weight of 7K-580S?
The molecular weight of 7K-580S is 333.02 g/mol.
Where can I buy 7K-580S?
You can request a quote for 7K-580S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7K-580S?
Yes, KEHONG BIO provides custom synthesis services for 7K-580S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.