![(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide structure](/static/products/101/1014554-56-3.png)
(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
TL;DR: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide (CAS 1014554-56-3) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Also Known As: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide, 3-[1-(1,3-dioxaindan-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.88252 |
| Topological Polar Surface Area | 85.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 953.2908 |
Chemical Identifiers
| CAS Number | 1014554-56-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)NCCCOC |
Product Overview
(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide (CAS 1014554-56-3), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide.
Chemical Property Profile of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Property Insights of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
The XLogP value of 2.88252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide. The TPSA of 85.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide has 1 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 (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The CAS number of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide is 1014554-56-3.
What is the molecular formula of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The molecular formula of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide is C21H23N3O4.
What is the molecular weight of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The molecular weight of (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide is 381.17 g/mol.
Where can I buy (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
You can request a quote for (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)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 (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.