![methyl(phenyl)[?]dione structure](/static/products/5394/53945-30-5.webp)
methyl(phenyl)[?]dione
TL;DR: methyl(phenyl)[?]dione (CAS 53945-30-5) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-9-phenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Also Known As: methyl(phenyl)[?]dione, RCL T188808, 5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-, 2-methyl-6-phenyl-5,5a,7a,8-tetrahydro-5,8-etheno-cyclobuta[, 2-Methyl-6-phenyl-5,5a,7a,8-tetrahydro-1H-5,8-ethenocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 53945-30-5 |
|---|---|
| SMILES | CN1C(=O)N2C3C=CC(N2C1=O)C4C3C=C4C5=CC=CC=C5 |
| InChIKey | ODRYVRQFMJDTPV-UHFFFAOYSA-N |
Product Overview
methyl(phenyl)[?]dione (CAS 53945-30-5), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 4-methyl-9-phenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione.
Chemical Property Profile of methyl(phenyl)[?]dione
Property Insights of methyl(phenyl)[?]dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(phenyl)[?]dione. With a topological polar surface area (TPSA) of 43.9 Ų, methyl(phenyl)[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(phenyl)[?]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(phenyl)[?]dione?
The CAS number of methyl(phenyl)[?]dione is 53945-30-5.
What is the molecular formula of methyl(phenyl)[?]dione?
The molecular formula of methyl(phenyl)[?]dione is C17H15N3O2.
What is the molecular weight of methyl(phenyl)[?]dione?
The molecular weight of methyl(phenyl)[?]dione is 293.12 g/mol.
Where can I buy methyl(phenyl)[?]dione?
You can request a quote for methyl(phenyl)[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(phenyl)[?]dione?
Yes, KEHONG BIO provides custom synthesis services for methyl(phenyl)[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.