7K-577S
TL;DR: 7K-577S (CAS 339013-83-1) is a chemical compound with molecular formula C12H10F3N3O2S2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 7K-577S, 2-[(4-methoxyphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(4-methoxyphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C12H10F3N3O2S2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 3.2963 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.01666 |
| Heavy Atoms | 22 |
| Complexity | 643.8112 |
Chemical Identifiers
| CAS Number | 339013-83-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)C(F)(F)F |
Product Overview
7K-577S (CAS 339013-83-1), with molecular formula C12H10F3N3O2S2 and molecular weight 349.02 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 7K-577S
Property Insights of 7K-577S
The XLogP value of 3.2963 indicates that 7K-577S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 7K-577S. Following Lipinski's Rule of Five, 7K-577S has 1 hydrogen bond donor(s) and 6 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-577S?
The CAS number of 7K-577S is 339013-83-1.
What is the molecular formula of 7K-577S?
The molecular formula of 7K-577S is C12H10F3N3O2S2.
What is the molecular weight of 7K-577S?
The molecular weight of 7K-577S is 349.02 g/mol.
Where can I buy 7K-577S?
You can request a quote for 7K-577S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7K-577S?
Yes, KEHONG BIO provides custom synthesis services for 7K-577S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.