![methyl(vinyl)[?]dione structure](/static/products/7164/71647-42-2.webp)
methyl(vinyl)[?]dione
TL;DR: methyl(vinyl)[?]dione (CAS 71647-42-2) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
Also Known As: methyl(vinyl)[?]dione, 5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5-ethenyltetrahydro-2-methyl-, 2-Methyl-5-vinyltetrahydro-1H-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5-ethenyltetrahydro-2-methyl-, 2-methyl-5-vinyl-tetrahydro-5,8-ethano-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 71647-42-2 |
|---|---|
| SMILES | CN1C(=O)N2C3CCC(N2C1=O)(CC3)C=C |
| InChIKey | NAGPWFULKJSOBV-UHFFFAOYSA-N |
Product Overview
methyl(vinyl)[?]dione (CAS 71647-42-2), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 1-ethenyl-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione.
Chemical Property Profile of methyl(vinyl)[?]dione
Property Insights of methyl(vinyl)[?]dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(vinyl)[?]dione. With a topological polar surface area (TPSA) of 43.9 Ų, methyl(vinyl)[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(vinyl)[?]dione has 0 hydrogen bond donor(s) and 2 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 methyl(vinyl)[?]dione?
The CAS number of methyl(vinyl)[?]dione is 71647-42-2.
What is the molecular formula of methyl(vinyl)[?]dione?
The molecular formula of methyl(vinyl)[?]dione is C11H15N3O2.
What is the molecular weight of methyl(vinyl)[?]dione?
The molecular weight of methyl(vinyl)[?]dione is 221.12 g/mol.
Where can I buy methyl(vinyl)[?]dione?
You can request a quote for methyl(vinyl)[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(vinyl)[?]dione?
Yes, KEHONG BIO provides custom synthesis services for methyl(vinyl)[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.