![3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/374/374098-82-5.png)
3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 374098-82-5) is a chemical compound with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-[4-(phenylacetyl)piperazin-1-yl]-6-sulfanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-mercapto-3,3-dimethyl-8-(4-(2-phenylacetyl)piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-Mercapto-3,3-dimethyl-8-(4-phenylacetyl-piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carb onitrile
| Molecular Formula | C23H26N4O2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.35847 |
| Topological Polar Surface Area | 72.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.17764 |
| Heavy Atoms | 30 |
| Complexity | 1047.3533 |
Chemical Identifiers
| CAS Number | 374098-82-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=S)NC(=C2CO1)N3CCN(CC3)C(=O)CC4=CC=CC=C4)C#N)C |
Product Overview
3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 374098-82-5), with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol. IUPAC: 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 3.35847 indicates that 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-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 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 374098-82-5.
What is the molecular formula of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C23H26N4O2S.
What is the molecular weight of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 422.18 g/mol.
Where can I buy 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-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-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.