3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
TL;DR: 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline (CAS 23862-72-8) is a chemical compound with molecular formula C16H16N2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
Also Known As: 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline, 3,3-Dimethyl-1-(pyridin-2-yl)-3,4-dihydroisoquinoline
| Molecular Formula | C16H16N2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.13135 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 23862-72-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)C3=CC=CC=N3)C |
| InChIKey | QTEZWJVHWHCJDX-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline (CAS 23862-72-8), with molecular formula C16H16N2 and molecular weight 236.13 g/mol. IUPAC: 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline.
Chemical Property Profile of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
Property Insights of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
The XLogP value of 3.2 indicates that 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline 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 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline?
The CAS number of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline is 23862-72-8.
What is the molecular formula of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline?
The molecular formula of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline is C16H16N2.
What is the molecular weight of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline?
The molecular weight of 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline is 236.13 g/mol.
Where can I buy 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline?
You can request a quote for 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline 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-1-pyridin-2-yl-4H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.