![2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide structure](/static/products/7288/728898-48-4.webp)
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide
TL;DR: 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide (CAS 728898-48-4) is a chemical compound with molecular formula C20H21N3O and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-prop-2-enylprop-2-enamide
Also Known As: 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide, (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-prop-2-enylprop-2-enamide, 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-prop-2-enyl-prop-2-enamide
| Molecular Formula | C20H21N3O |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 3.61174 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.16846 |
| Heavy Atoms | 24 |
| Complexity | 833.0043 |
Chemical Identifiers
| CAS Number | 728898-48-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCC=C)C |
Product Overview
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide (CAS 728898-48-4), with molecular formula C20H21N3O and molecular weight 319.17 g/mol. IUPAC: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide
Property Insights of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide
The XLogP value of 3.61174 indicates that 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 2 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-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide?
The CAS number of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide is 728898-48-4.
What is the molecular formula of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide?
The molecular formula of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide is C20H21N3O.
What is the molecular weight of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide?
The molecular weight of 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide is 319.17 g/mol.
Where can I buy 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide?
You can request a quote for 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1h-pyrrol-3-yl]-n-(prop-2-en-1-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.