F6548-3402
TL;DR: F6548-3402 (CAS 688792-48-5) is a chemical compound with molecular formula C26H20F3N5OS and molecular weight 507.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: F6548-3402, 5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11(16),12,14-heptaene-9-thione, (6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, (6-THIOXO-5,6-DIHYDRO[1,3]BENZIMIDAZO[1,2-C]QUINAZOLIN-3-YL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE, (6-thioxo-5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
| Molecular Formula | C26H20F3N5OS |
|---|---|
| Molecular Weight | 507.13 g/mol |
| LogP | 5.67949 |
| Topological Polar Surface Area | 56.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 507.13406 |
| Heavy Atoms | 36 |
| Complexity | 1699.6195 |
Chemical Identifiers
| CAS Number | 688792-48-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4 |
Product Overview
F6548-3402 (CAS 688792-48-5), with molecular formula C26H20F3N5OS and molecular weight 507.13 g/mol. IUPAC: (6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of F6548-3402
Property Insights of F6548-3402
The XLogP value of 5.67949 indicates that F6548-3402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.64 Ų, F6548-3402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F6548-3402 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F6548-3402?
The CAS number of F6548-3402 is 688792-48-5.
What is the molecular formula of F6548-3402?
The molecular formula of F6548-3402 is C26H20F3N5OS.
What is the molecular weight of F6548-3402?
The molecular weight of F6548-3402 is 507.13 g/mol.
Where can I buy F6548-3402?
You can request a quote for F6548-3402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F6548-3402?
Yes, KEHONG BIO provides custom synthesis services for F6548-3402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.