![(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile structure](/static/products/801/801242-65-9.png)
(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
TL;DR: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile (CAS 801242-65-9) is a chemical compound with molecular formula C22H17N3O4 and molecular weight 387.12 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-(3-nitrophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile, (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C22H17N3O4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 4.79522 |
| Topological Polar Surface Area | 90.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12192 |
| Heavy Atoms | 29 |
| Complexity | 1201.2518 |
Chemical Identifiers
| CAS Number | 801242-65-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(/C#N)\C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile (CAS 801242-65-9), with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol. IUPAC: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
Property Insights of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.79522 indicates that (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile 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 (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile is 801242-65-9.
What is the molecular formula of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile is C22H17N3O4.
What is the molecular weight of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile is 387.12 g/mol.
Where can I buy (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.