![3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile structure](/static/products/5957/59576-34-0.webp)
3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile
TL;DR: 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile (CAS 59576-34-0) is a chemical compound with molecular formula C18H15N3OS and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carbonitrile
Also Known As: BIM-0036877.P001, 3-amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile, AB00100543-01, AB00100543-03, 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carbonitrile
| Molecular Formula | C18H15N3OS |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0936 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 59576-34-0 |
|---|---|
| SMILES | CC1=C(C(=NC2=C1C(=C(S2)C#N)N)C)CC(=O)C3=CC=CC=C3 |
| InChIKey | NQKJWLHWESWXTO-UHFFFAOYSA-N |
Product Overview
3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile (CAS 59576-34-0), with molecular formula C18H15N3OS and molecular weight 321.09 g/mol. IUPAC: 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carbonitrile.
Chemical Property Profile of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile
Property Insights of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile
The XLogP value of 4.2 indicates that 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-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 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The CAS number of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile is 59576-34-0.
What is the molecular formula of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The molecular formula of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile is C18H15N3OS.
What is the molecular weight of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The molecular weight of 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile is 321.09 g/mol.
Where can I buy 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile?
You can request a quote for 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.