![2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile structure](/static/products/7232/723299-79-4.webp)
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
TL;DR: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 723299-79-4) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxopyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Also Known As: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, 2-(2,5-dioxopyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, AN-919/15183008, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile, 4H-cyclohepta[b]thiophene-3-carbonitrile, 2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 2.31808 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 618.6065 |
Chemical Identifiers
| CAS Number | 723299-79-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)N3C(=O)C=CC3=O |
Product Overview
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 723299-79-4), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: 2-(2,5-dioxopyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile.
Chemical Property Profile of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Property Insights of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
The XLogP value of 2.31808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The CAS number of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is 723299-79-4.
What is the molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is C14H12N2O2S.
What is the molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is 272.06 g/mol.
Where can I buy 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
You can request a quote for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.