F1252-0068
TL;DR: F1252-0068 (CAS 537702-93-5) is a chemical compound with molecular formula C15H15IN6O and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-8-[(E)-(2-iodophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
Also Known As: F1252-0068, 6-tert-butyl-8-[(E)-[(2-iodophenyl)methylidene]amino]-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one, (E)-6-(tert-butyl)-8-((2-iodobenzylidene)amino)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one, 6-tert-butyl-8-[(E)-(2-iodophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one, 6-tert-butyl-8-{[(E)-(2-iodophenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
| Molecular Formula | C15H15IN6O |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 2.0703 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.03522 |
| Heavy Atoms | 23 |
| Complexity | 950.4909 |
Chemical Identifiers
| CAS Number | 537702-93-5 |
|---|---|
| SMILES | CC(C)(C)C1=NN2C=NN=C2N(C1=O)/N=C/C3=CC=CC=C3I |
Product Overview
F1252-0068 (CAS 537702-93-5), with molecular formula C15H15IN6O and molecular weight 422.04 g/mol. IUPAC: 6-tert-butyl-8-[(E)-(2-iodophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
Chemical Property Profile of F1252-0068
Property Insights of F1252-0068
The XLogP value of 2.0703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1252-0068. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F1252-0068. Following Lipinski's Rule of Five, F1252-0068 has 0 hydrogen bond donor(s) and 5 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 F1252-0068?
The CAS number of F1252-0068 is 537702-93-5.
What is the molecular formula of F1252-0068?
The molecular formula of F1252-0068 is C15H15IN6O.
What is the molecular weight of F1252-0068?
The molecular weight of F1252-0068 is 422.04 g/mol.
Where can I buy F1252-0068?
You can request a quote for F1252-0068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0068?
Yes, KEHONG BIO provides custom synthesis services for F1252-0068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.