(3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
TL;DR: (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one (CAS 24292-48-6) 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.
(3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
Also Known As: (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one, J1.568.090C, AB00073545-01, 1(2H)-Isoquinolinone, 3,4-dihydro-3-methyl-, (3S)-, (3S)-3-Methyl-3,4-dihydroisoquinoline-1(2H)-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.7 |
| 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 | 24292-48-6 |
|---|---|
| SMILES | C[C@H]1CC2=CC=CC=C2C(=O)N1 |
| InChIKey | BWWCBNZSMWMIKH-ZETCQYMHSA-N |
Product Overview
(3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one (CAS 24292-48-6), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one.
Chemical Property Profile of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
Property Insights of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one 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 (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The CAS number of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one is 24292-48-6.
What is the molecular formula of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The molecular formula of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one is C10H11NO.
What is the molecular weight of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The molecular weight of (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one is 161.08 g/mol.
Where can I buy (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one?
You can request a quote for (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-methyl-3,4-dihydro-2H-isoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.