F1853-0057
TL;DR: F1853-0057 (CAS 869074-04-4) is a chemical compound with molecular formula C14H10F3N5O2S2 and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Also Known As: F1853-0057, 2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide, 2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide, 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide, N-p-(trifluoromethyl)phenyl(5-methyl-4-oxo-1-thia-3,3a,6,7-tetraaza-2-indenylthio)acetamide
| Molecular Formula | C14H10F3N5O2S2 |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 2.60402 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.0228 |
| Heavy Atoms | 26 |
| Complexity | 1014.0795 |
Chemical Identifiers
| CAS Number | 869074-04-4 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
F1853-0057 (CAS 869074-04-4), with molecular formula C14H10F3N5O2S2 and molecular weight 401.02 g/mol. IUPAC: 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F1853-0057
Property Insights of F1853-0057
The XLogP value of 2.60402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1853-0057. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F1853-0057. Following Lipinski's Rule of Five, F1853-0057 has 1 hydrogen bond donor(s) and 7 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 F1853-0057?
The CAS number of F1853-0057 is 869074-04-4.
What is the molecular formula of F1853-0057?
The molecular formula of F1853-0057 is C14H10F3N5O2S2.
What is the molecular weight of F1853-0057?
The molecular weight of F1853-0057 is 401.02 g/mol.
Where can I buy F1853-0057?
You can request a quote for F1853-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1853-0057?
Yes, KEHONG BIO provides custom synthesis services for F1853-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.