![phenyl[?]dione structure](/static/products/7033/70332-87-5.webp)
phenyl[?]dione
TL;DR: phenyl[?]dione (CAS 70332-87-5) is a chemical compound with molecular formula C19H15N3O2 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-phenyl-12,14,16-triazapentacyclo[7.7.0.02,11.03,8.012,16]hexadeca-3,5,7-triene-13,15-dione
Also Known As: phenyl[?]dione, 5,10-Methano-1H-indeno(1',2':4,5)pyrazolo(1,2-a)(1,2,4)triazole-1,3(2H)-dione, 4a,5,9b,10-tetrahydro-2-phenyl-, 9-phenyl-6,6a,12,12a-tetrahydro-5H-5,12-cyclo-benzo[e][1,2,4, 2-Phenyl-4a,5,9b,10-tetrahydro-1H-5,10-methanoindeno[1',2':4,5]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione, 5,10-Methano-1H-indeno[1',2':4,5]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione, 4a,5,9b,10-tetrahydro-2-phenyl-
| Molecular Formula | C19H15N3O2 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.11642 |
| Heavy Atoms | 24 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 70332-87-5 |
|---|---|
| SMILES | C1C2C3C(C1N4N3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C26 |
| InChIKey | PWVOXWDVOXCDEJ-UHFFFAOYSA-N |
Product Overview
phenyl[?]dione (CAS 70332-87-5), with molecular formula C19H15N3O2 and molecular weight 317.12 g/mol. IUPAC: 14-phenyl-12,14,16-triazapentacyclo[7.7.0.02,11.03,8.012,16]hexadeca-3,5,7-triene-13,15-dione.
Chemical Property Profile of phenyl[?]dione
Property Insights of phenyl[?]dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl[?]dione. With a topological polar surface area (TPSA) of 43.9 Ų, phenyl[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 phenyl[?]dione?
The CAS number of phenyl[?]dione is 70332-87-5.
What is the molecular formula of phenyl[?]dione?
The molecular formula of phenyl[?]dione is C19H15N3O2.
What is the molecular weight of phenyl[?]dione?
The molecular weight of phenyl[?]dione is 317.12 g/mol.
Where can I buy phenyl[?]dione?
You can request a quote for phenyl[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl[?]dione?
Yes, KEHONG BIO provides custom synthesis services for phenyl[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.