3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
TL;DR: 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile (CAS 866019-95-6) is a chemical compound with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
Also Known As: (Z)-3-(1,3-benzodioxol-5-yl)-2-[4-(1H-pyrrol-1-yl)phenyl]-2-propenenitrile, 3-(1,3-benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
| Molecular Formula | C20H14N2O2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 4.27018 |
| Topological Polar Surface Area | 47.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.10553 |
| Heavy Atoms | 24 |
| Complexity | 932.77026 |
Chemical Identifiers
| CAS Number | 866019-95-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)N4C=CC=C4 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile (CAS 866019-95-6), with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
Property Insights of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
The XLogP value of 4.27018 indicates that 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)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, 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is 866019-95-6.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is C20H14N2O2.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is 314.11 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)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 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.