Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-
TL;DR: Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- (CAS 76068-85-4) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
Also Known As: J1.425.907D, Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-, 2,2-Dimethyl-1-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one, 1-Methyl-2-pivaloyl-1,2,3,4-tetrahydroisoquinoline, 2,2-dimethyl-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 76068-85-4 |
|---|---|
| SMILES | CC1C2=CC=CC=C2CCN1C(=O)C(C)(C)C |
| InChIKey | JNPKHHCDJVYNCJ-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- (CAS 76068-85-4), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 2,2-dimethyl-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.
Chemical Property Profile of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-
Property Insights of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-
The XLogP value of 3.1 indicates that Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-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, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-?
The CAS number of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- is 76068-85-4.
What is the molecular formula of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-?
The molecular formula of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- is C15H21NO.
What is the molecular weight of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-?
The molecular weight of Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- is 231.16 g/mol.
Where can I buy Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-?
You can request a quote for Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-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, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.