4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
TL;DR: 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile (CAS 307965-74-8) is a chemical compound with molecular formula C19H14N4O3 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Also Known As: 4-acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile, 6-acetyl-5-hydroxy-4'-methoxy-[1,1'-biphenyl]-2,2,3,3(1H,4H)-tetracarbonitrile
| Molecular Formula | C19H14N4O3 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.65072 |
| Topological Polar Surface Area | 141.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1066 |
| Heavy Atoms | 26 |
| Complexity | 920.96423 |
Chemical Identifiers
| CAS Number | 307965-74-8 |
|---|---|
| SMILES | CC(=O)C1=C(CC(C(C1C2=CC=C(C=C2)OC)(C#N)C#N)(C#N)C#N)O |
Product Overview
4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile (CAS 307965-74-8), with molecular formula C19H14N4O3 and molecular weight 346.11 g/mol. IUPAC: 4-acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Property Insights of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
The XLogP value of 2.65072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile. The TPSA of 141.69 Ų indicates high polarity, suggesting 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile has 1 hydrogen bond donor(s) and 7 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-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The CAS number of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile is 307965-74-8.
What is the molecular formula of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The molecular formula of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile is C19H14N4O3.
What is the molecular weight of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The molecular weight of 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile is 346.11 g/mol.
Where can I buy 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile?
You can request a quote for 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-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-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.