3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile
TL;DR: 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile (CAS 900019-51-4) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-2-(1-methylpyrrole-2-carbonyl)prop-2-enenitrile
Also Known As: 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile, (E)-3-(2-methoxyphenyl)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-2-propenenitrile, I+/--[(2-Methoxyphenyl)methylene]-1-methyl-I(2)-oxo-1H-pyrrole-2-propanenitrile
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.82358 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 705.2621 |
Chemical Identifiers
| CAS Number | 900019-51-4 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)C(=CC2=CC=CC=C2OC)C#N |
Product Overview
3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile (CAS 900019-51-4), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 3-(2-methoxyphenyl)-2-(1-methylpyrrole-2-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile
Property Insights of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile
The XLogP value of 2.82358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 55.02 Ų, 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)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-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile?
The CAS number of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile is 900019-51-4.
What is the molecular formula of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile is C16H14N2O2.
What is the molecular weight of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile is 266.11 g/mol.
Where can I buy 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)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-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyphenyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.