F0665-0093
TL;DR: F0665-0093 (CAS 896677-69-3) is a chemical compound with molecular formula C18H15N5O3S2 and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: F0665-0093, 3-((4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C18H15N5O3S2 |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 3.4403 |
| Topological Polar Surface Area | 95.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.06165 |
| Heavy Atoms | 28 |
| Complexity | 1210.1672 |
Chemical Identifiers
| CAS Number | 896677-69-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC3=O |
Product Overview
F0665-0093 (CAS 896677-69-3), with molecular formula C18H15N5O3S2 and molecular weight 413.06 g/mol. IUPAC: 3-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of F0665-0093
Property Insights of F0665-0093
The XLogP value of 3.4403 indicates that F0665-0093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F0665-0093. Following Lipinski's Rule of Five, F0665-0093 has 0 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 F0665-0093?
The CAS number of F0665-0093 is 896677-69-3.
What is the molecular formula of F0665-0093?
The molecular formula of F0665-0093 is C18H15N5O3S2.
What is the molecular weight of F0665-0093?
The molecular weight of F0665-0093 is 413.06 g/mol.
Where can I buy F0665-0093?
You can request a quote for F0665-0093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0665-0093?
Yes, KEHONG BIO provides custom synthesis services for F0665-0093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.