F1252-0842
TL;DR: F1252-0842 (CAS 539812-75-4) is a chemical compound with molecular formula C22H19ClN6O3 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(6-tert-butyl-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)iminomethyl]phenyl] 4-chlorobenzoate
Also Known As: F1252-0842, (E)-2-(((6-(tert-butyl)-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8(7H)-yl)imino)methyl)phenyl 4-chlorobenzoate, 2-[(1E)-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl}imino)methyl]phenyl 4-chlorobenzoate, [2-[(E)-(6-tert-butyl-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)iminomethyl]phenyl] 4-chlorobenzoate
| Molecular Formula | C22H19ClN6O3 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 3.3383 |
| Topological Polar Surface Area | 103.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.12073 |
| Heavy Atoms | 32 |
| Complexity | 1383.5562 |
Chemical Identifiers
| CAS Number | 539812-75-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN2C=NN=C2N(C1=O)/N=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
F1252-0842 (CAS 539812-75-4), with molecular formula C22H19ClN6O3 and molecular weight 450.12 g/mol. IUPAC: [2-[(E)-(6-tert-butyl-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)iminomethyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of F1252-0842
Property Insights of F1252-0842
The XLogP value of 3.3383 indicates that F1252-0842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1252-0842. Following Lipinski's Rule of Five, F1252-0842 has 0 hydrogen bond donor(s) and 7 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 F1252-0842?
The CAS number of F1252-0842 is 539812-75-4.
What is the molecular formula of F1252-0842?
The molecular formula of F1252-0842 is C22H19ClN6O3.
What is the molecular weight of F1252-0842?
The molecular weight of F1252-0842 is 450.12 g/mol.
Where can I buy F1252-0842?
You can request a quote for F1252-0842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0842?
Yes, KEHONG BIO provides custom synthesis services for F1252-0842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.