![(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile structure](/static/products/801/801243-29-8.png)
(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
TL;DR: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile (CAS 801243-29-8) is a chemical compound with molecular formula C22H17FN2O2 and molecular weight 360.13 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-fluorophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile, (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
| Molecular Formula | C22H17FN2O2 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 5.02612 |
| Topological Polar Surface Area | 47.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.1274 |
| Heavy Atoms | 27 |
| Complexity | 1105.986 |
Chemical Identifiers
| CAS Number | 801243-29-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(/C#N)\C4=CC(=CC=C4)F |
Product Overview
(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile (CAS 801243-29-8), with molecular formula C22H17FN2O2 and molecular weight 360.13 g/mol. IUPAC: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
Property Insights of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
The XLogP value of 5.02612 indicates that (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.18 Ų, (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-fluorophenyl)prop-2-enenitrile?
The CAS number of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile is 801243-29-8.
What is the molecular formula of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile is C22H17FN2O2.
What is the molecular weight of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile is 360.13 g/mol.
Where can I buy (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.