![3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile structure](/static/products/4780/478078-01-2.webp)
3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile
TL;DR: 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile (CAS 478078-01-2) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-3-oxopropanenitrile
Also Known As: Bionet2_000484, 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile, 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-3-yl]-3-oxopropanenitrile, 7R-0048, 3-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-3-oxopropanenitrile
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 3.25202 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 581.7083 |
Chemical Identifiers
| CAS Number | 478078-01-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CS2)C(=O)CC#N)C |
Product Overview
3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile (CAS 478078-01-2), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 3-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile
Property Insights of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile
The XLogP value of 3.25202 indicates that 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile 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-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile?
The CAS number of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile is 478078-01-2.
What is the molecular formula of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile?
The molecular formula of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile is C13H12N2OS.
What is the molecular weight of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile?
The molecular weight of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile is 244.07 g/mol.
Where can I buy 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile?
You can request a quote for 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.