![2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile structure](/static/products/3240/324066-89-9.webp)
2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile
TL;DR: 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile (CAS 324066-89-9) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-ylmethylideneamino)-4,5-dimethylthiophene-3-carbonitrile
Also Known As: IFLab1_003512, NCI60_040551, 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 324066-89-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N=CC2=CNC3=CC=CC=C32)C |
| InChIKey | QWUZKLGMYXAWHL-UHFFFAOYSA-N |
Product Overview
2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile (CAS 324066-89-9), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 2-(1H-indol-3-ylmethylideneamino)-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile
Property Insights of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile
The XLogP value of 3.8 indicates that 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile has 1 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 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile?
The CAS number of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile is 324066-89-9.
What is the molecular formula of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile?
The molecular formula of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile is C16H13N3S.
What is the molecular weight of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile?
The molecular weight of 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile is 279.08 g/mol.
Where can I buy 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile?
You can request a quote for 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-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 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-[(1H-indol-3-yl)methylidene]amino]-4,5-dimethylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.