![6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/371/371954-91-5.png)
6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 371954-91-5) is a chemical compound with molecular formula C24H28N4OS and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile, 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 8-ethyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C24H28N4OS |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.04598 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1984 |
| Heavy Atoms | 30 |
| Complexity | 988.5009 |
Chemical Identifiers
| CAS Number | 371954-91-5 |
|---|---|
| SMILES | CCC1=NC(=C(C2=C1CSC(C2)(C)C)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4 |
Product Overview
6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 371954-91-5), with molecular formula C24H28N4OS and molecular weight 420.20 g/mol. IUPAC: 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 4.04598 indicates that 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile has 0 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 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is 371954-91-5.
What is the molecular formula of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is C24H28N4OS.
What is the molecular weight of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is 420.20 g/mol.
Where can I buy 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzoylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.