![8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/385/385810-72-0.png)
8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 385810-72-0) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-6-sulfanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.02257 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 995.6886 |
Chemical Identifiers
| CAS Number | 385810-72-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=S)NC(=C2CO1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N)C |
Product Overview
8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 385810-72-0), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 3.02257 indicates that 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 6 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-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 385810-72-0.
What is the molecular formula of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C20H22N4O3S.
What is the molecular weight of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 398.14 g/mol.
Where can I buy 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[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-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.