![3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/385/385810-58-2.png)
3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 385810-58-2) is a chemical compound with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-6-sulfanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 3.28649 |
| Topological Polar Surface Area | 89.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 1203.0427 |
Chemical Identifiers
| CAS Number | 385810-58-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4COC(CC4=C(C(=S)N3)C#N)(C)C |
Product Overview
3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 385810-58-2), with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol. IUPAC: 3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 3.28649 indicates that 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-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 89.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-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 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 385810-58-2.
What is the molecular formula of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C22H26N4O3S2.
What is the molecular weight of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 458.14 g/mol.
Where can I buy 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-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 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-6-thioxo-8-(4-tosylpiperazin-1-yl)-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.