F1259-0045
TL;DR: F1259-0045 (CAS 500267-66-3) is a chemical compound with molecular formula C26H24F2N4O3S and molecular weight 510.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethoxy)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide
Also Known As: F1259-0045, N-(4-(difluoromethoxy)phenyl)-4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazine-1-carbothioamide, N-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide, N-[4-(difluoromethoxy)phenyl]-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
| Molecular Formula | C26H24F2N4O3S |
|---|---|
| Molecular Weight | 510.15 g/mol |
| LogP | 4.0518 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.15372 |
| Heavy Atoms | 36 |
| Complexity | 1259.5421 |
Chemical Identifiers
| CAS Number | 500267-66-3 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=C(C=C5)OC(F)F |
Product Overview
F1259-0045 (CAS 500267-66-3), with molecular formula C26H24F2N4O3S and molecular weight 510.15 g/mol. IUPAC: N-[4-(difluoromethoxy)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of F1259-0045
Property Insights of F1259-0045
The XLogP value of 4.0518 indicates that F1259-0045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F1259-0045. Following Lipinski's Rule of Five, F1259-0045 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1259-0045?
The CAS number of F1259-0045 is 500267-66-3.
What is the molecular formula of F1259-0045?
The molecular formula of F1259-0045 is C26H24F2N4O3S.
What is the molecular weight of F1259-0045?
The molecular weight of F1259-0045 is 510.15 g/mol.
Where can I buy F1259-0045?
You can request a quote for F1259-0045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1259-0045?
Yes, KEHONG BIO provides custom synthesis services for F1259-0045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.