![2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile structure](/static/products/4385/438532-80-0.webp)
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
TL;DR: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (CAS 438532-80-0) is a chemical compound with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxopyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-(2,5-dioxopyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile, 3-(2,5-dioxopyrrol-1-yl)-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carbonitrile
| Molecular Formula | C12H8N2O2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.53788 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.03065 |
| Heavy Atoms | 17 |
| Complexity | 588.7572 |
Chemical Identifiers
| CAS Number | 438532-80-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)N3C(=O)C=CC3=O |
Product Overview
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (CAS 438532-80-0), with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol. IUPAC: 2-(2,5-dioxopyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
Chemical Property Profile of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Property Insights of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
The XLogP value of 1.53788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The CAS number of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is 438532-80-0.
What is the molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is C12H8N2O2S.
What is the molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is 244.03 g/mol.
Where can I buy 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
You can request a quote for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.