3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride
TL;DR: 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride (CAS 85588-50-7) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-1,4-dihydroisoquinolin-3-one;hydrochloride
Also Known As: 2-(Dimethylamino)-1,4-dihydro-3(2H)-isoquinolinone monohydrochloride, 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride, 2-(dimethylamino)-1,4-dihydroisoquinolin-3-one,hydrochloride, 2-dimethylamino-1,4-dihydroisoquinolin-3-onehydrochloride, 2-(dimethylamino)-1,4-dihydroisoquinolin-3-one hydrochloride
| Molecular Formula | C11H15ClN2O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.4697 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.0873 |
| Heavy Atoms | 15 |
| Complexity | 365.36047 |
Chemical Identifiers
| CAS Number | 85588-50-7 |
|---|---|
| SMILES | CN(C)N1CC2=CC=CC=C2CC1=O.Cl |
Product Overview
3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride (CAS 85588-50-7), with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol. IUPAC: 2-(dimethylamino)-1,4-dihydroisoquinolin-3-one;hydrochloride.
Chemical Property Profile of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride
Property Insights of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride
The XLogP value of 1.4697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride. With a topological polar surface area (TPSA) of 23.55 Ų, 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride 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(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride?
The CAS number of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride is 85588-50-7.
What is the molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride?
The molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride is C11H15ClN2O.
What is the molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride?
The molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride is 226.09 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride?
You can request a quote for 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 1,4-dihydro-2-(dimethylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.