![phenyl[?]dione structure](/static/products/3011/30114-59-1.webp)
phenyl[?]dione
TL;DR: phenyl[?]dione (CAS 30114-59-1) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
Also Known As: phenyl[?]dione, RCL T174254, 1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop(cd)as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-, 4-phenyl-octahydro-2a,4,5-triaza-1,2-cyclo-dicycloprop[a,cd], 1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop[cd]as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 30114-59-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N3C4C5C6C5C(N3C2=O)C7C6C74 |
| InChIKey | FOVABRXCXSLHGN-UHFFFAOYSA-N |
Product Overview
phenyl[?]dione (CAS 30114-59-1), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione.
Chemical Property Profile of phenyl[?]dione
Property Insights of phenyl[?]dione
The XLogP value of 1.6 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 30114-59-1.
What is the molecular formula of phenyl[?]dione?
The molecular formula of phenyl[?]dione is C16H13N3O2.
What is the molecular weight of phenyl[?]dione?
The molecular weight of phenyl[?]dione is 279.10 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.