Toxoflavin analog
TL;DR: Toxoflavin analog (CAS 42285-69-8) is a chemical compound with molecular formula C13H9Cl2N5O2 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: Toxoflavin analog, EX-A3706, Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(3,4-dichlorophenyl)-1,6-dimethyl-, US9073941, 111, 3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]tri
| Molecular Formula | C13H9Cl2N5O2 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.01334 |
| Heavy Atoms | 22 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 42285-69-8 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=C(C=C3)Cl)Cl)C |
| InChIKey | WXPVEFQJXLQDFO-UHFFFAOYSA-N |
Product Overview
Toxoflavin analog (CAS 42285-69-8), with molecular formula C13H9Cl2N5O2 and molecular weight 337.01 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of Toxoflavin analog
Property Insights of Toxoflavin analog
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toxoflavin analog. The TPSA of 77.7 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 3 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 42285-69-8.
What is the molecular formula of Toxoflavin analog?
The molecular formula of Toxoflavin analog is C13H9Cl2N5O2.
What is the molecular weight of Toxoflavin analog?
The molecular weight of Toxoflavin analog is 337.01 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.