![3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/368/368888-79-3.png)
3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 368888-79-3) is a chemical compound with molecular formula C26H33N5OS and molecular weight 463.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]-N-phenylpiperazine-1-carbothioamide
Also Known As: 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-phenylpiperazine-1-carbothioamide, 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]-N-phenylpiperazine-1-carbothioamide, 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]-N-phenylpiperazine-1-carbothioamide
| Molecular Formula | C26H33N5OS |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | 4.52208 |
| Topological Polar Surface Area | 64.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.24057 |
| Heavy Atoms | 33 |
| Complexity | 1052.5873 |
Chemical Identifiers
| CAS Number | 368888-79-3 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C2=C1COC(C2)(C)C)C#N)N3CCN(CC3)C(=S)NC4=CC=CC=C4 |
Product Overview
3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 368888-79-3), with molecular formula C26H33N5OS and molecular weight 463.24 g/mol. IUPAC: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]-N-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 4.52208 indicates that 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-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 64.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-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-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 368888-79-3.
What is the molecular formula of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C26H33N5OS.
What is the molecular weight of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 463.24 g/mol.
Where can I buy 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-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-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-8-(2-methylpropyl)-6-{4-[(phenylamino)thioxomethyl]piperazinyl}-3 ,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.