F1252-0880
TL;DR: F1252-0880 (CAS 539813-04-2) is a chemical compound with molecular formula C23H22N6O3 and molecular weight 430.18 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] 2-methylbenzoate
Also Known As: F1252-0880, 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 2-methylbenzoate, [2-[(E)-(6-tert-butyl-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)iminomethyl]phenyl] 2-methylbenzoate, 2-{(E)-[(6-tert-butyl-7-oxo[1,2,4]triazolo[4,3-b][1,2,4]triazin-8(7H)-yl)imino]methyl}phenyl 2-methylbenzoate, (E)-2-(((6-(tert-butyl)-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8(7H)-yl)imino)methyl)phenyl 2-methylbenzoate
| Molecular Formula | C23H22N6O3 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 2.99332 |
| Topological Polar Surface Area | 103.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.17532 |
| Heavy Atoms | 32 |
| Complexity | 1394.8718 |
Chemical Identifiers
| CAS Number | 539813-04-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=CC=C2/C=N/N3C(=O)C(=NN4C3=NN=C4)C(C)(C)C |
Product Overview
F1252-0880 (CAS 539813-04-2), with molecular formula C23H22N6O3 and molecular weight 430.18 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] 2-methylbenzoate.
Chemical Property Profile of F1252-0880
Property Insights of F1252-0880
The XLogP value of 2.99332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1252-0880. The TPSA of 103.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1252-0880. Following Lipinski's Rule of Five, F1252-0880 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 F1252-0880?
The CAS number of F1252-0880 is 539813-04-2.
What is the molecular formula of F1252-0880?
The molecular formula of F1252-0880 is C23H22N6O3.
What is the molecular weight of F1252-0880?
The molecular weight of F1252-0880 is 430.18 g/mol.
Where can I buy F1252-0880?
You can request a quote for F1252-0880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0880?
Yes, KEHONG BIO provides custom synthesis services for F1252-0880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.