Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
TL;DR: Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- (CAS 88960-55-8) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,3-dimethyl-4H-isoquinoline
Also Known As: 3-ethyl-1,3-dimethyl-3,4-dihydroisoquinoline, 3-ethyl-1,3-dimethyl-4H-isoquinoline, Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.2204 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 378.57687 |
Chemical Identifiers
| CAS Number | 88960-55-8 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C(=N1)C)C |
Product Overview
Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- (CAS 88960-55-8), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 3-ethyl-1,3-dimethyl-4H-isoquinoline.
Chemical Property Profile of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
Property Insights of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
The XLogP value of 3.2204 indicates that Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- 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-ethyl-3,4-dihydro-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- 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-ethyl-3,4-dihydro-1,3-dimethyl-?
The CAS number of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- is 88960-55-8.
What is the molecular formula of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-?
The molecular formula of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- is C13H17N.
What is the molecular weight of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-?
The molecular weight of Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- is 187.14 g/mol.
Where can I buy Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-?
You can request a quote for Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.