(Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
TL;DR: (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile (CAS 866019-99-0) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
Also Known As: (E)-3-(dimethylamino)-2-[4-(1H-pyrrol-1-yl)phenyl]-2-propenenitrile, (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
| Molecular Formula | C15H15N3 |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 2.90338 |
| Topological Polar Surface Area | 31.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.1266 |
| Heavy Atoms | 18 |
| Complexity | 569.2013 |
Chemical Identifiers
| CAS Number | 866019-99-0 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C1=CC=C(C=C1)N2C=CC=C2 |
Product Overview
(Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile (CAS 866019-99-0), with molecular formula C15H15N3 and molecular weight 237.13 g/mol. IUPAC: (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
Property Insights of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile
The XLogP value of 2.90338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 31.96 Ų, (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile has 0 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 (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The CAS number of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is 866019-99-0.
What is the molecular formula of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The molecular formula of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is C15H15N3.
What is the molecular weight of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
The molecular weight of (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile is 237.13 g/mol.
Where can I buy (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
You can request a quote for (Z)-3-(dimethylamino)-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 (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(dimethylamino)-2-(4-pyrrol-1-ylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.