3,4-dihydro-5-methyl-1(2H)-isoquinolinone
TL;DR: 3,4-dihydro-5-methyl-1(2H)-isoquinolinone (CAS 129075-56-5) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3,4-dihydro-2H-isoquinolin-1-one
Also Known As: 5-methyl-3,4-dihydroisoquinolin-1(2H)-one, 3,4-Dihydro-5-methyl-1(2H)-isoquinolinone, dihydroisoquinolinone, 1, 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE, 5-methyl-3,4-dihydro-2H-isoquinolin-1-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 129075-56-5 |
|---|---|
| SMILES | CC1=C2CCNC(=O)C2=CC=C1 |
| InChIKey | RLLZPXDJYADIEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-5-methyl-1(2H)-isoquinolinone (CAS 129075-56-5), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 5-methyl-3,4-dihydro-2H-isoquinolin-1-one.
Chemical Property Profile of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone
Property Insights of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-5-methyl-1(2H)-isoquinolinone. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dihydro-5-methyl-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-5-methyl-1(2H)-isoquinolinone has 1 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 3,4-dihydro-5-methyl-1(2H)-isoquinolinone?
The CAS number of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone is 129075-56-5.
What is the molecular formula of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone?
The molecular formula of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone is C10H11NO.
What is the molecular weight of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone?
The molecular weight of 3,4-dihydro-5-methyl-1(2H)-isoquinolinone is 161.08 g/mol.
Where can I buy 3,4-dihydro-5-methyl-1(2H)-isoquinolinone?
You can request a quote for 3,4-dihydro-5-methyl-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-5-methyl-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-5-methyl-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.