F1246-0052
TL;DR: F1246-0052 (CAS 537700-96-2) is a chemical compound with molecular formula C29H31N3O6 and molecular weight 517.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate
Also Known As: F1246-0052, methyl 4-(3-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)-2-hydroxypropoxy)benzoate, methyl 4-{3-[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)piperazin-1-yl]-2-hydroxypropoxy}benzoate, methyl 4-[3-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate, methyl p-(3-{4-[2-(1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)ethyl]-1-piperazinyl}-2-hydroxypropoxy)benzoate
| Molecular Formula | C29H31N3O6 |
|---|---|
| Molecular Weight | 517.22 g/mol |
| LogP | 2.2799 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.2213 |
| Heavy Atoms | 38 |
| Complexity | 1283.1478 |
Chemical Identifiers
| CAS Number | 537700-96-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
F1246-0052 (CAS 537700-96-2), with molecular formula C29H31N3O6 and molecular weight 517.22 g/mol. IUPAC: methyl 4-[3-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate.
Chemical Property Profile of F1246-0052
Property Insights of F1246-0052
The XLogP value of 2.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1246-0052. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for F1246-0052. Following Lipinski's Rule of Five, F1246-0052 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1246-0052?
The CAS number of F1246-0052 is 537700-96-2.
What is the molecular formula of F1246-0052?
The molecular formula of F1246-0052 is C29H31N3O6.
What is the molecular weight of F1246-0052?
The molecular weight of F1246-0052 is 517.22 g/mol.
Where can I buy F1246-0052?
You can request a quote for F1246-0052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1246-0052?
Yes, KEHONG BIO provides custom synthesis services for F1246-0052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.