(Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile
TL;DR: (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile (CAS 86771-02-0) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile
Also Known As: BAS 06038067, (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile, 3-(1-Methyl-1H-pyrrol-2-yl)-2-phenylacrylonitrile, AE-508/36399033, 3-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-acrylonitrile
| Molecular Formula | C14H12N2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 3.08928 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10005 |
| Heavy Atoms | 16 |
| Complexity | 541.6144 |
Chemical Identifiers
| CAS Number | 86771-02-0 |
|---|---|
| SMILES | CN1C=CC=C1/C=C(\C#N)/C2=CC=CC=C2 |
Product Overview
(Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile (CAS 86771-02-0), with molecular formula C14H12N2 and molecular weight 208.10 g/mol. IUPAC: (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile
Property Insights of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile
The XLogP value of 3.08928 indicates that (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile has 0 hydrogen bond donor(s) and 1 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-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile?
The CAS number of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile is 86771-02-0.
What is the molecular formula of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile?
The molecular formula of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile is C14H12N2.
What is the molecular weight of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile?
The molecular weight of (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile is 208.10 g/mol.
Where can I buy (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile?
You can request a quote for (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-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-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(1-methylpyrrol-2-yl)-2-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.