![6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/372/372152-46-0.png)
6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 372152-46-0) is a chemical compound with molecular formula C26H32N4OS and molecular weight 448.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile, 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 8-butyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C26H32N4OS |
|---|---|
| Molecular Weight | 448.23 g/mol |
| LogP | 4.82618 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.22968 |
| Heavy Atoms | 32 |
| Complexity | 1020.3578 |
Chemical Identifiers
| CAS Number | 372152-46-0 |
|---|---|
| SMILES | CCCCC1=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-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 372152-46-0), with molecular formula C26H32N4OS and molecular weight 448.23 g/mol. IUPAC: 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 4.82618 indicates that 6-(4-benzoylpiperazin-1-yl)-8-butyl-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-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-(4-benzoylpiperazin-1-yl)-8-butyl-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-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is 372152-46-0.
What is the molecular formula of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is C26H32N4OS.
What is the molecular weight of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is 448.23 g/mol.
Where can I buy 6-(4-benzoylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6-(4-benzoylpiperazin-1-yl)-8-butyl-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-butyl-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-butyl-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.