F1012-0029
TL;DR: F1012-0029 (CAS 327093-20-9) is a chemical compound with molecular formula C25H22ClFN4O2S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide
Also Known As: F1012-0029, N-(4-chloro-2-fluorophenyl)-4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazine-1-carbothioamide, N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide, (4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)ethyl]-1-piperazinecarbothioamide, N-(4-chloro-2-fluorophenyl)-4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazine-1-carbothioamide
| Molecular Formula | C25H22ClFN4O2S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 4.2429 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.11362 |
| Heavy Atoms | 34 |
| Complexity | 1258.5653 |
Chemical Identifiers
| CAS Number | 327093-20-9 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=C(C=C(C=C5)Cl)F |
Product Overview
F1012-0029 (CAS 327093-20-9), with molecular formula C25H22ClFN4O2S and molecular weight 496.11 g/mol. IUPAC: N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of F1012-0029
Property Insights of F1012-0029
The XLogP value of 4.2429 indicates that F1012-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.89 Ų, F1012-0029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1012-0029 has 1 hydrogen bond donor(s) and 4 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 F1012-0029?
The CAS number of F1012-0029 is 327093-20-9.
What is the molecular formula of F1012-0029?
The molecular formula of F1012-0029 is C25H22ClFN4O2S.
What is the molecular weight of F1012-0029?
The molecular weight of F1012-0029 is 496.11 g/mol.
Where can I buy F1012-0029?
You can request a quote for F1012-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1012-0029?
Yes, KEHONG BIO provides custom synthesis services for F1012-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.