![8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/3721/372157-03-4.webp)
8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 372157-03-4) is a chemical compound with molecular formula C19H28N4S and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butyl-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 8-butyl-3,3-dimethyl-6-piperazin-1-yl-3,4-dihydro-, 8-Butyl-3,4-dihydro-3,3-dimethyl-6-(1-piperazinyl)-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 8-butyl-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile, 8-Butyl-3,3-dimethyl-6-(1-piperazinyl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile #
| Molecular Formula | C19H28N4S |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.20346 |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 372157-03-4 |
|---|---|
| SMILES | CCCCC1=NC(=C(C2=C1CSC(C2)(C)C)C#N)N3CCNCC3 |
| InChIKey | XCNTYAMCOLKFEW-UHFFFAOYSA-N |
Product Overview
8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 372157-03-4), with molecular formula C19H28N4S and molecular weight 344.20 g/mol. IUPAC: 8-butyl-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 3.2 indicates that 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-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 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 372157-03-4.
What is the molecular formula of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is C19H28N4S.
What is the molecular weight of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 344.20 g/mol.
Where can I buy 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[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 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.