1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
TL;DR: 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile (CAS 73657-70-2) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
Also Known As: 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile, 2-cyano-1,3,4-trimethyl-3-piperideine, 1,3,4-Trimethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile, RefChem:219850
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 73657-70-2 |
|---|---|
| SMILES | CC1=C(C(N(CC1)C)C#N)C |
| InChIKey | MIQUNXLIWZVSSY-UHFFFAOYSA-N |
Product Overview
1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile (CAS 73657-70-2), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile.
Chemical Property Profile of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
Property Insights of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile has 0 hydrogen bond donor(s) and 2 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 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The CAS number of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile is 73657-70-2.
What is the molecular formula of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The molecular formula of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile is C9H14N2.
What is the molecular weight of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The molecular weight of 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile is 150.12 g/mol.
Where can I buy 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
You can request a quote for 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.