![dioxo(phenyl)[?]carbonitrile structure](/static/products/7201/72012-63-6.webp)
dioxo(phenyl)[?]carbonitrile
TL;DR: dioxo(phenyl)[?]carbonitrile (CAS 72012-63-6) is a chemical compound with molecular formula C16H12N4O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carbonitrile
Also Known As: dioxo(phenyl)[?]carbonitrile, 5,7-Etheno-1H,5H-cyclopropa(d)(1,2,4)triazolo(1,2-a)pyridazine-6-carbonitrile, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-, 1,3-Dioxo-2-phenylhexahydro-1H,5H-5,7-ethenocyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carbonitrile, 5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carbonitrile, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-
| Molecular Formula | C16H12N4O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.09604 |
| Heavy Atoms | 22 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 72012-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N3C4C=CC(N3C2=O)C5C4C5C#N |
| InChIKey | QBJUREIOZGCRQQ-UHFFFAOYSA-N |
Product Overview
dioxo(phenyl)[?]carbonitrile (CAS 72012-63-6), with molecular formula C16H12N4O2 and molecular weight 292.10 g/mol. IUPAC: 3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carbonitrile.
Chemical Property Profile of dioxo(phenyl)[?]carbonitrile
Property Insights of dioxo(phenyl)[?]carbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dioxo(phenyl)[?]carbonitrile. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dioxo(phenyl)[?]carbonitrile. Following Lipinski's Rule of Five, dioxo(phenyl)[?]carbonitrile has 0 hydrogen bond donor(s) and 3 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 dioxo(phenyl)[?]carbonitrile?
The CAS number of dioxo(phenyl)[?]carbonitrile is 72012-63-6.
What is the molecular formula of dioxo(phenyl)[?]carbonitrile?
The molecular formula of dioxo(phenyl)[?]carbonitrile is C16H12N4O2.
What is the molecular weight of dioxo(phenyl)[?]carbonitrile?
The molecular weight of dioxo(phenyl)[?]carbonitrile is 292.10 g/mol.
Where can I buy dioxo(phenyl)[?]carbonitrile?
You can request a quote for dioxo(phenyl)[?]carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dioxo(phenyl)[?]carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for dioxo(phenyl)[?]carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.