RefChem:92041
TL;DR: RefChem:92041 (CAS 57562-66-0) is a chemical compound with molecular formula C14H11N5O5 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Also Known As: 5-phenyl-4-methylpyrimidine, 3-(1,3-Benzodioxol-5-yl)-1,6-dimethylpyrimido(5,4-e)(1,2,4)triazine-5,7(1H,6H)-dione 4-oxide, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione, 3-(1,3-Benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione 4-oxide, 3-(2H-1,3-Benzodioxol-5-yl)-1,6-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
| Molecular Formula | C14H11N5O5 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.07602 |
| Heavy Atoms | 24 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 57562-66-0 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC4=C(C=C3)OCO4)[O-])C |
| InChIKey | NMUZICGNWZUGMK-UHFFFAOYSA-N |
Product Overview
RefChem:92041 (CAS 57562-66-0), with molecular formula C14H11N5O5 and molecular weight 329.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione.
Chemical Property Profile of RefChem:92041
Property Insights of RefChem:92041
The XLogP value of -0.4 indicates that RefChem:92041 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:92041. Following Lipinski's Rule of Five, RefChem:92041 has 0 hydrogen bond donor(s) and 6 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 RefChem:92041?
The CAS number of RefChem:92041 is 57562-66-0.
What is the molecular formula of RefChem:92041?
The molecular formula of RefChem:92041 is C14H11N5O5.
What is the molecular weight of RefChem:92041?
The molecular weight of RefChem:92041 is 329.08 g/mol.
Where can I buy RefChem:92041?
You can request a quote for RefChem:92041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:92041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:92041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.