![8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/330/330180-12-6.png)
8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 330180-12-6) is a chemical compound with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.13567 |
| Topological Polar Surface Area | 72.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 770.0208 |
Chemical Identifiers
| CAS Number | 330180-12-6 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C3COC(CC3=C(C(=S)N2)C#N)(C)C |
Product Overview
8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 330180-12-6), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: 8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 8-(4-acetylpiperazin-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-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 2.13567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. The TPSA of 72.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-acetylpiperazin-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-acetylpiperazin-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 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-(4-acetylpiperazin-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-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 330180-12-6.
What is the molecular formula of 8-(4-acetylpiperazin-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-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C17H22N4O2S.
What is the molecular weight of 8-(4-acetylpiperazin-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-acetylpiperazin-1-yl)-3,3-dimethyl-6-thioxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 346.15 g/mol.
Where can I buy 8-(4-acetylpiperazin-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-acetylpiperazin-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-acetylpiperazin-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-acetylpiperazin-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.