RefChem:377796
TL;DR: RefChem:377796 (CAS 113458-69-8) is a chemical compound with molecular formula C9H13N5O4 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: 2,4,4a,8-Tetrahydro-6,8-dimethyl-4a-ethoxypyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,3,4,4a,5,6,7,8-Octahydro-4a-ethoxy-6,8-dimethylpyrimido(5,4-e)(1,2,4)triazine-3,5,7-trione, Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-ethoxy-, 4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, 4a-Ethoxy-3-hydroxy-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
| Molecular Formula | C9H13N5O4 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | -1.1307 |
| Topological Polar Surface Area | 103.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.09676 |
| Heavy Atoms | 18 |
| Complexity | 461.87436 |
Chemical Identifiers
| CAS Number | 113458-69-8 |
|---|---|
| SMILES | CCOC12C(=NNC(=O)N1)N(C(=O)N(C2=O)C)C |
Product Overview
RefChem:377796 (CAS 113458-69-8), with molecular formula C9H13N5O4 and molecular weight 255.10 g/mol. IUPAC: 4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of RefChem:377796
Property Insights of RefChem:377796
The XLogP value of -1.1307 indicates that RefChem:377796 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377796. Following Lipinski's Rule of Five, RefChem:377796 has 2 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 RefChem:377796?
The CAS number of RefChem:377796 is 113458-69-8.
What is the molecular formula of RefChem:377796?
The molecular formula of RefChem:377796 is C9H13N5O4.
What is the molecular weight of RefChem:377796?
The molecular weight of RefChem:377796 is 255.10 g/mol.
Where can I buy RefChem:377796?
You can request a quote for RefChem:377796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.