4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
TL;DR: 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile (CAS 245079-16-7) is a chemical compound with molecular formula C15H10N4O and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
Also Known As: J1.130.268H, 4-(4-methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile, 4-oxo-4-(p-tolyl)butane-1,1,2,2-tetracarbonitrile, 1-[2-(4-METHYLPHENYL)-2-OXOETHYL]ETHANE-1,1,2,2-TETRACARBONITRILE
| Molecular Formula | C15H10N4O |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 2.26474 |
| Topological Polar Surface Area | 112.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.08545 |
| Heavy Atoms | 20 |
| Complexity | 649.0495 |
Chemical Identifiers
| CAS Number | 245079-16-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C#N)(C#N)C(C#N)C#N |
Product Overview
4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile (CAS 245079-16-7), with molecular formula C15H10N4O and molecular weight 262.09 g/mol. IUPAC: 4-(4-methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
Property Insights of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
The XLogP value of 2.26474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile. The TPSA of 112.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile?
The CAS number of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile is 245079-16-7.
What is the molecular formula of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile?
The molecular formula of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile is C15H10N4O.
What is the molecular weight of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile?
The molecular weight of 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile is 262.09 g/mol.
Where can I buy 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile?
You can request a quote for 4-(4-Methylphenyl)-4-oxobutane-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-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.