![3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione structure](/static/products/4228/42285-61-0.webp)
3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
TL;DR: 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CAS 42285-61-0) is a chemical compound with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: Toxoflavin analog, BAS 00444307, J2.684.608K, US9073941, 603, 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
| Molecular Formula | C13H10ClN5O2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.0523 |
| Heavy Atoms | 21 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 42285-61-0 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)Cl)C |
| InChIKey | UCEGDYDPOSBUTP-UHFFFAOYSA-N |
Product Overview
3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CAS 42285-61-0), with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Property Insights of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione. Following Lipinski's Rule of Five, 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 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 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The CAS number of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is 42285-61-0.
What is the molecular formula of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The molecular formula of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is C13H10ClN5O2.
What is the molecular weight of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The molecular weight of 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is 303.05 g/mol.
Where can I buy 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
You can request a quote for 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.