![(E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile structure](/static/products/900/900019-56-9.png)
(E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile
TL;DR: (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile (CAS 900019-56-9) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1-methylpyrrole-2-carbonyl)-3-thiophen-3-ylprop-2-enenitrile
Also Known As: (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile, 12Y-0807, (E)-2-(1-methylpyrrole-2-carbonyl)-3-thiophen-3-ylprop-2-enenitrile, (2E)-2-[(E)-1-methyl-1H-pyrrole-2-carbonyl]-3-(thiophen-3-yl)prop-2-enenitrile, (E)-2-(1-methylpyrrole-2-carbonyl)-3-(3-thienyl)prop-2-enenitrile
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.87648 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 599.653 |
Chemical Identifiers
| CAS Number | 900019-56-9 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)/C(=C/C2=CSC=C2)/C#N |
Product Overview
(E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile (CAS 900019-56-9), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: (E)-2-(1-methylpyrrole-2-carbonyl)-3-thiophen-3-ylprop-2-enenitrile.
Chemical Property Profile of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile
Property Insights of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile
The XLogP value of 2.87648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile. With a topological polar surface area (TPSA) of 45.79 Ų, (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile 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 (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile?
The CAS number of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile is 900019-56-9.
What is the molecular formula of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile?
The molecular formula of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile is C13H10N2OS.
What is the molecular weight of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile?
The molecular weight of (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile is 242.05 g/mol.
Where can I buy (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile?
You can request a quote for (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-(3-thienyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.