1-Butanone, 1-(3-isoquinolinyl)-
TL;DR: 1-Butanone, 1-(3-isoquinolinyl)- (CAS 7661-41-8) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isoquinolin-3-ylbutan-1-one
Also Known As: 3-Butyrylisoquinoline, 1-Butanone, 1-(3-isoquinolinyl)-, 1-isoquinolin-3-ylbutan-1-one, 1-Butanone, 1-(3-isoquinolyl)-, 1-(ISOQUINOLIN-3-YL)BUTAN-1-ONE
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 7661-41-8 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=CC=CC=C2C=N1 |
| InChIKey | SQGDAWQXQGUGEX-UHFFFAOYSA-N |
Product Overview
1-Butanone, 1-(3-isoquinolinyl)- (CAS 7661-41-8), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 1-isoquinolin-3-ylbutan-1-one.
Chemical Property Profile of 1-Butanone, 1-(3-isoquinolinyl)-
Property Insights of 1-Butanone, 1-(3-isoquinolinyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone, 1-(3-isoquinolinyl)-. With a topological polar surface area (TPSA) of 30.0 Ų, 1-Butanone, 1-(3-isoquinolinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-(3-isoquinolinyl)- 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 1-Butanone, 1-(3-isoquinolinyl)-?
The CAS number of 1-Butanone, 1-(3-isoquinolinyl)- is 7661-41-8.
What is the molecular formula of 1-Butanone, 1-(3-isoquinolinyl)-?
The molecular formula of 1-Butanone, 1-(3-isoquinolinyl)- is C13H13NO.
What is the molecular weight of 1-Butanone, 1-(3-isoquinolinyl)-?
The molecular weight of 1-Butanone, 1-(3-isoquinolinyl)- is 199.10 g/mol.
Where can I buy 1-Butanone, 1-(3-isoquinolinyl)-?
You can request a quote for 1-Butanone, 1-(3-isoquinolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-(3-isoquinolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(3-isoquinolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.