3-Methylfervenulin
TL;DR: 3-Methylfervenulin (CAS 31116-50-4) is a chemical compound with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: 3-Methylfervenulin, Pyrimido[5,4-e]-1,2,4-triazine-5,7(6H,8H)-dione, 3,6,8-trimethyl-, 3,6,8-Trimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione, 3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
| Molecular Formula | C8H9N5O2 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.07562 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 31116-50-4 |
|---|---|
| SMILES | CC1=NC2=C(N=N1)N(C(=O)N(C2=O)C)C |
| InChIKey | IHCRFHCWINOJSU-UHFFFAOYSA-N |
Product Overview
3-Methylfervenulin (CAS 31116-50-4), with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol. IUPAC: 3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of 3-Methylfervenulin
Property Insights of 3-Methylfervenulin
The XLogP value of -0.8 indicates that 3-Methylfervenulin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylfervenulin. Following Lipinski's Rule of Five, 3-Methylfervenulin has 0 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 3-Methylfervenulin?
The CAS number of 3-Methylfervenulin is 31116-50-4.
What is the molecular formula of 3-Methylfervenulin?
The molecular formula of 3-Methylfervenulin is C8H9N5O2.
What is the molecular weight of 3-Methylfervenulin?
The molecular weight of 3-Methylfervenulin is 207.08 g/mol.
Where can I buy 3-Methylfervenulin?
You can request a quote for 3-Methylfervenulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylfervenulin?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylfervenulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.