![3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/126/126961-52-2.png)
3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 126961-52-2) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,8-trimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 00288773, J1.044.156K, 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 3,3,8-trimethyl-6-oxo-1H,3H,4H,6H,7H-pyrano[3,4-c]pyridine-5-carbonitrile, 1H-Pyrano[3,4-c]pyridine-5-carbonitrile, 3,4,6,7-tetrahydro-3,3,8-trimethyl-6-oxo-
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 126961-52-2 |
|---|---|
| SMILES | CC1=C2COC(CC2=C(C(=O)N1)C#N)(C)C |
| InChIKey | WQRQZMQBLXFWRN-UHFFFAOYSA-N |
Product Overview
3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 126961-52-2), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3,3,8-trimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of -0.1 indicates that 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[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 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 126961-52-2.
What is the molecular formula of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C12H14N2O2.
What is the molecular weight of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 218.11 g/mol.
Where can I buy 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3,8-Trimethyl-6-oxo-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 3,3,8-Trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3,8-Trimethyl-6-oxo-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.