2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile
TL;DR: 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile (CAS 477846-28-9) is a chemical compound with molecular formula C16H10N4O and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile
Also Known As: 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile, 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)malononitrile, 10N-809
| Molecular Formula | C16H10N4O |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.55656 |
| Topological Polar Surface Area | 104.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.08545 |
| Heavy Atoms | 21 |
| Complexity | 798.9326 |
Chemical Identifiers
| CAS Number | 477846-28-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C(C#N)C#N)C#N)C(=O)C2=CC=CC=C2 |
Product Overview
2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile (CAS 477846-28-9), with molecular formula C16H10N4O and molecular weight 274.09 g/mol. IUPAC: 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile.
Chemical Property Profile of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile
Property Insights of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile
The XLogP value of 2.55656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile. The TPSA of 104.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile. Following Lipinski's Rule of Five, 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile has 1 hydrogen bond donor(s) and 4 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 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile?
The CAS number of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile is 477846-28-9.
What is the molecular formula of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile?
The molecular formula of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile is C16H10N4O.
What is the molecular weight of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile?
The molecular weight of 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile is 274.09 g/mol.
Where can I buy 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile?
You can request a quote for 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzoyl-3-cyano-5-methyl-1H-pyrrol-2-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.