![3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/328/328068-50-4.png)
3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 328068-50-4) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-6-oxo-8-propyl-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-6-oxo-8-propyl-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C14H18N2OS |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.76698 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.11398 |
| Heavy Atoms | 18 |
| Complexity | 566.3823 |
Chemical Identifiers
| CAS Number | 328068-50-4 |
|---|---|
| SMILES | CCCC1=C2CSC(CC2=C(C(=O)N1)C#N)(C)C |
Product Overview
3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 328068-50-4), with molecular formula C14H18N2OS and molecular weight 262.11 g/mol. IUPAC: 3,3-dimethyl-6-oxo-8-propyl-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 2.76698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 3 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-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 328068-50-4.
What is the molecular formula of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is C14H18N2OS.
What is the molecular weight of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 262.11 g/mol.
Where can I buy 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[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-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-6-oxo-8-propyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.