F1853-0115
TL;DR: F1853-0115 (CAS 869074-68-0) is a chemical compound with molecular formula C12H9N5O3S2 and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-nitrophenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: F1853-0115, 3-methyl-7-((4-nitrobenzyl)thio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-7-[(4-nitrophenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-7-{[(4-nitrophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 5-methyl-2-[(p-nitrophenyl)methylthio]-1-thia-3,3a,6,7-tetraaza-4-indenone
| Molecular Formula | C12H9N5O3S2 |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 2.05492 |
| Topological Polar Surface Area | 103.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.01468 |
| Heavy Atoms | 22 |
| Complexity | 903.26086 |
Chemical Identifiers
| CAS Number | 869074-68-0 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
F1853-0115 (CAS 869074-68-0), with molecular formula C12H9N5O3S2 and molecular weight 335.01 g/mol. IUPAC: 3-methyl-7-[(4-nitrophenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of F1853-0115
Property Insights of F1853-0115
The XLogP value of 2.05492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1853-0115. The TPSA of 103.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F1853-0115. Following Lipinski's Rule of Five, F1853-0115 has 0 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 F1853-0115?
The CAS number of F1853-0115 is 869074-68-0.
What is the molecular formula of F1853-0115?
The molecular formula of F1853-0115 is C12H9N5O3S2.
What is the molecular weight of F1853-0115?
The molecular weight of F1853-0115 is 335.01 g/mol.
Where can I buy F1853-0115?
You can request a quote for F1853-0115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1853-0115?
Yes, KEHONG BIO provides custom synthesis services for F1853-0115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.