(E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
TL;DR: (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile (CAS 366809-84-9) is a chemical compound with molecular formula C17H15N3O2S2 and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
Also Known As: (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile, 2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
| Molecular Formula | C17H15N3O2S2 |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.96806 |
| Topological Polar Surface Area | 74.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.06058 |
| Heavy Atoms | 24 |
| Complexity | 957.6195 |
Chemical Identifiers
| CAS Number | 366809-84-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)/C=C/3\C(=O)NC(=O)S3 |
Product Overview
(E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile (CAS 366809-84-9), with molecular formula C17H15N3O2S2 and molecular weight 357.06 g/mol. IUPAC: 2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
Property Insights of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
The XLogP value of 3.96806 indicates that (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile. Following Lipinski's Rule of Five, (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile?
The CAS number of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile is 366809-84-9.
What is the molecular formula of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile?
The molecular formula of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile is C17H15N3O2S2.
What is the molecular weight of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile?
The molecular weight of (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile is 357.06 g/mol.
Where can I buy (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile?
You can request a quote for (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-((2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.