Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
TL;DR: Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- (CAS 41712-62-3) is a chemical compound with molecular formula C18H25N and molecular weight 255.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-phenylethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
Also Known As: 1-Phenethyl-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline, 2-methyl-1-phenethyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline, 5-20-07-00535 (Beilstein Handbook Reference), ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-PHENETHYL-, Isoquinoline, 2-methyl-1-phenethyl-1,2,3,4,5,6,7,8-octahydro-
| Molecular Formula | C18H25N |
|---|---|
| Molecular Weight | 255.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1987 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 41712-62-3 |
|---|---|
| SMILES | CN1CCC2=C(C1CCC3=CC=CC=C3)CCCC2 |
| InChIKey | KDCYOWUMMCQWCJ-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- (CAS 41712-62-3), with molecular formula C18H25N and molecular weight 255.20 g/mol. IUPAC: 2-methyl-1-(2-phenylethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline.
Chemical Property Profile of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
Property Insights of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
The XLogP value of 3.8 indicates that Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- 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, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-?
The CAS number of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- is 41712-62-3.
What is the molecular formula of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-?
The molecular formula of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- is C18H25N.
What is the molecular weight of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-?
The molecular weight of Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- is 255.20 g/mol.
Where can I buy Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-?
You can request a quote for Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.