![3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile structure](/static/products/4778/477871-05-9.webp)
3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile
TL;DR: 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile (CAS 477871-05-9) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-(3-pyrrol-1-ylthiophen-2-yl)propanenitrile
Also Known As: Bionet2_000563, oxopyrrolylthienylpropanenitrile, 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile, 3-oxo-3-[3-(1H-pyrrol-1-yl)thiophen-2-yl]propanenitrile, 3-oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]propanenitrile
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.63518 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 504.93036 |
Chemical Identifiers
| CAS Number | 477871-05-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C(=O)CC#N |
Product Overview
3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile (CAS 477871-05-9), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 3-oxo-3-(3-pyrrol-1-ylthiophen-2-yl)propanenitrile.
Chemical Property Profile of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile
Property Insights of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile
The XLogP value of 2.63518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile 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-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile?
The CAS number of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile is 477871-05-9.
What is the molecular formula of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile?
The molecular formula of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile is C11H8N2OS.
What is the molecular weight of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile?
The molecular weight of 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile is 216.04 g/mol.
Where can I buy 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile?
You can request a quote for 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.