4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
TL;DR: 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile (CAS 307965-73-7) is a chemical compound with molecular formula C18H12N4O2 and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Also Known As: 4-acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile, 6-acetyl-5-hydroxy-[1,1'-biphenyl]-2,2,3,3(1H,4H)-tetracarbonitrile
| Molecular Formula | C18H12N4O2 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.64212 |
| Topological Polar Surface Area | 132.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.09604 |
| Heavy Atoms | 24 |
| Complexity | 860.1672 |
Chemical Identifiers
| CAS Number | 307965-73-7 |
|---|---|
| SMILES | CC(=O)C1=C(CC(C(C1C2=CC=CC=C2)(C#N)C#N)(C#N)C#N)O |
Product Overview
4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile (CAS 307965-73-7), with molecular formula C18H12N4O2 and molecular weight 316.10 g/mol. IUPAC: 4-acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Property Insights of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
The XLogP value of 2.64212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile. The TPSA of 132.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile has 1 hydrogen bond donor(s) and 6 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 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The CAS number of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile is 307965-73-7.
What is the molecular formula of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The molecular formula of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile is C18H12N4O2.
What is the molecular weight of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The molecular weight of 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile is 316.10 g/mol.
Where can I buy 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
You can request a quote for 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-5-hydroxy-3-phenylcyclohex-4-ene-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.