F1646-0009
TL;DR: F1646-0009 (CAS 867135-44-2) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)phenyl]-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]methanethione
Also Known As: F1646-0009, N,N-dimethyl-4-[4-(3-nitrobenzenecarbothioyl)piperazine-1-carbothioyl]aniline, (4-(dimethylamino)phenyl)(4-(3-nitrophenylcarbonothioyl)piperazin-1-yl)methanethione, (4-{[p-(dimethylamino)phenyl](thiocarbonyl)}-1-piperazinyl)(m-nitrophenyl)methanethione, (4-dimethylaminophenyl)-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]methanethione
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.3296 |
| Topological Polar Surface Area | 52.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 891.3336 |
Chemical Identifiers
| CAS Number | 867135-44-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F1646-0009 (CAS 867135-44-2), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: [4-(dimethylamino)phenyl]-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]methanethione.
Chemical Property Profile of F1646-0009
Property Insights of F1646-0009
The XLogP value of 3.3296 indicates that F1646-0009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.86 Ų, F1646-0009 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1646-0009 has 0 hydrogen bond donor(s) and 5 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 F1646-0009?
The CAS number of F1646-0009 is 867135-44-2.
What is the molecular formula of F1646-0009?
The molecular formula of F1646-0009 is C20H22N4O2S2.
What is the molecular weight of F1646-0009?
The molecular weight of F1646-0009 is 414.12 g/mol.
Where can I buy F1646-0009?
You can request a quote for F1646-0009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1646-0009?
Yes, KEHONG BIO provides custom synthesis services for F1646-0009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.