![phenyl[?]dione structure](/static/products/1574/157462-17-4.webp)
phenyl[?]dione
TL;DR: phenyl[?]dione (CAS 157462-17-4) is a chemical compound with molecular formula C24H18N2O2 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13,15,17,19-hexaene-3,6-dione
Also Known As: phenyl[?]dione, NCI60_023049, BIM-0048069.P001, 4-Phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione, (9S,10S,16R)-13-phenyl-9,10,11,13,14,16-hexahydro-9,10-[4,5]epipyridazinoanthracene-12,15-dione
| Molecular Formula | C24H18N2O2 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.13684 |
| Heavy Atoms | 28 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 157462-17-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)N2 |
| InChIKey | LHPUJOVDVWHOGP-UHFFFAOYSA-N |
Product Overview
phenyl[?]dione (CAS 157462-17-4), with molecular formula C24H18N2O2 and molecular weight 366.14 g/mol. IUPAC: 4-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13,15,17,19-hexaene-3,6-dione.
Chemical Property Profile of phenyl[?]dione
Property Insights of phenyl[?]dione
The XLogP value of 3.5 indicates that phenyl[?]dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, phenyl[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl[?]dione has 1 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 157462-17-4.
What is the molecular formula of phenyl[?]dione?
The molecular formula of phenyl[?]dione is C24H18N2O2.
What is the molecular weight of phenyl[?]dione?
The molecular weight of phenyl[?]dione is 366.14 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.