1(2H)-Isoquinolinone, 3-butyl-
TL;DR: 1(2H)-Isoquinolinone, 3-butyl- (CAS 132-90-1) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2H-isoquinolin-1-one
Also Known As: 3-Butylisocarbostyril, 1(2H)-Isoquinolinone, 3-butyl-, 3-Butylisoquinolin-1(2H)-one, Isocarbostyril, 3-butyl-, 3-butyl-2H-isoquinolin-1-one
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 2.8707 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 513.17004 |
Chemical Identifiers
| CAS Number | 132-90-1 |
|---|---|
| SMILES | CCCCC1=CC2=CC=CC=C2C(=O)N1 |
Product Overview
1(2H)-Isoquinolinone, 3-butyl- (CAS 132-90-1), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 3-butyl-2H-isoquinolin-1-one.
Chemical Property Profile of 1(2H)-Isoquinolinone, 3-butyl-
Property Insights of 1(2H)-Isoquinolinone, 3-butyl-
The XLogP value of 2.8707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Isoquinolinone, 3-butyl-. With a topological polar surface area (TPSA) of 32.86 Ų, 1(2H)-Isoquinolinone, 3-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Isoquinolinone, 3-butyl- 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 1(2H)-Isoquinolinone, 3-butyl-?
The CAS number of 1(2H)-Isoquinolinone, 3-butyl- is 132-90-1.
What is the molecular formula of 1(2H)-Isoquinolinone, 3-butyl-?
The molecular formula of 1(2H)-Isoquinolinone, 3-butyl- is C13H15NO.
What is the molecular weight of 1(2H)-Isoquinolinone, 3-butyl-?
The molecular weight of 1(2H)-Isoquinolinone, 3-butyl- is 201.12 g/mol.
Where can I buy 1(2H)-Isoquinolinone, 3-butyl-?
You can request a quote for 1(2H)-Isoquinolinone, 3-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Isoquinolinone, 3-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Isoquinolinone, 3-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.