Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-
TL;DR: Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- (CAS 88960-56-9) is a chemical compound with molecular formula C14H19N and molecular weight 201.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethyl-1-methyl-4H-isoquinoline
Also Known As: 3,3-diethyl-1-methyl-4H-isoquinoline, 3,3-Diethyl-1-methyl-3,4-dihydroisoquinoline, Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-, Isoquinoline,3,3-diethyl-3,4-dihydro-1-methyl
| Molecular Formula | C14H19N |
|---|---|
| Molecular Weight | 201.15 g/mol |
| LogP | 3.6105 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.15175 |
| Heavy Atoms | 15 |
| Complexity | 386.0801 |
Chemical Identifiers
| CAS Number | 88960-56-9 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C(=N1)C)CC |
Product Overview
Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- (CAS 88960-56-9), with molecular formula C14H19N and molecular weight 201.15 g/mol. IUPAC: 3,3-diethyl-1-methyl-4H-isoquinoline.
Chemical Property Profile of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-
Property Insights of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-
The XLogP value of 3.6105 indicates that Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- has 0 hydrogen bond donor(s) and 1 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 Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-?
The CAS number of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- is 88960-56-9.
What is the molecular formula of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-?
The molecular formula of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- is C14H19N.
What is the molecular weight of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-?
The molecular weight of Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- is 201.15 g/mol.
Where can I buy Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-?
You can request a quote for Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.