4-Methylbenzoylmalononitrile
TL;DR: 4-Methylbenzoylmalononitrile (CAS 46290-14-6) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylbenzoyl)propanedinitrile
Also Known As: 4-methylbenzoylmalononitrile, 2-(4-methylbenzoyl)malononitrile, 2-(4-methylbenzoyl)propanedinitrile, [(4-methylphenyl)carbonyl]propanedinitrile, AH-487/40936323
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.84108 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 406.08612 |
Chemical Identifiers
| CAS Number | 46290-14-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C#N)C#N |
Product Overview
4-Methylbenzoylmalononitrile (CAS 46290-14-6), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 2-(4-methylbenzoyl)propanedinitrile.
Chemical Property Profile of 4-Methylbenzoylmalononitrile
Property Insights of 4-Methylbenzoylmalononitrile
The XLogP value of 1.84108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzoylmalononitrile. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylbenzoylmalononitrile. Following Lipinski's Rule of Five, 4-Methylbenzoylmalononitrile 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 4-Methylbenzoylmalononitrile?
The CAS number of 4-Methylbenzoylmalononitrile is 46290-14-6.
What is the molecular formula of 4-Methylbenzoylmalononitrile?
The molecular formula of 4-Methylbenzoylmalononitrile is C11H8N2O.
What is the molecular weight of 4-Methylbenzoylmalononitrile?
The molecular weight of 4-Methylbenzoylmalononitrile is 184.06 g/mol.
Where can I buy 4-Methylbenzoylmalononitrile?
You can request a quote for 4-Methylbenzoylmalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzoylmalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzoylmalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.