Toxoflavin analog
TL;DR: Toxoflavin analog (CAS 32496-15-4) is a chemical compound with molecular formula C13H10ClN5O3 and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Also Known As: Toxoflavin analog, Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-chlorophenyl)-1,6-dimethyl-, 4-oxide, 3-(4-chlorophenyl)-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione, 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione, 3-(4-Chlorophenyl)-1,6-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
| Molecular Formula | C13H10ClN5O3 |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.0472 |
| Heavy Atoms | 22 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 32496-15-4 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(C=C3)Cl)[O-])C |
| InChIKey | FCHMPTHHYWWGLD-UHFFFAOYSA-N |
Product Overview
Toxoflavin analog (CAS 32496-15-4), with molecular formula C13H10ClN5O3 and molecular weight 319.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione.
Chemical Property Profile of Toxoflavin analog
Property Insights of Toxoflavin analog
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toxoflavin analog. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Toxoflavin analog. Following Lipinski's Rule of Five, Toxoflavin analog has 0 hydrogen bond donor(s) and 4 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 Toxoflavin analog?
The CAS number of Toxoflavin analog is 32496-15-4.
What is the molecular formula of Toxoflavin analog?
The molecular formula of Toxoflavin analog is C13H10ClN5O3.
What is the molecular weight of Toxoflavin analog?
The molecular weight of Toxoflavin analog is 319.05 g/mol.
Where can I buy Toxoflavin analog?
You can request a quote for Toxoflavin analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toxoflavin analog?
Yes, KEHONG BIO provides custom synthesis services for Toxoflavin analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.