2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-
TL;DR: 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- (CAS 85475-54-3) is a chemical compound with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-1-oxoisoquinolin-2-yl)-N'-hydroxypropanimidamide
Also Known As: alpha-Methyl chloro-4 oxo-1 1H-isoquinoleine-2 acetamidoxime [French], 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-, alpha-Methyl chloro-4 oxo-1 1H-isoquinoleine-2 acetamidoxime, 4-Chloro-N-hydroxy-alpha-methyl-1-oxo-2(1H)-isoquinolineethanimidamide, 2-(4-chloro-1-oxoisoquinolin-2-yl)-N'-hydroxypropanimidamide
| Molecular Formula | C12H12ClN3O2 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 1.9623 |
| Topological Polar Surface Area | 80.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0618 |
| Heavy Atoms | 18 |
| Complexity | 678.56714 |
Chemical Identifiers
| CAS Number | 85475-54-3 |
|---|---|
| SMILES | CC(/C(=N/O)/N)N1C=C(C2=CC=CC=C2C1=O)Cl |
Product Overview
2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- (CAS 85475-54-3), with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol. IUPAC: 2-(4-chloro-1-oxoisoquinolin-2-yl)-N'-hydroxypropanimidamide.
Chemical Property Profile of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-
Property Insights of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-
The XLogP value of 1.9623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-. The TPSA of 80.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-. Following Lipinski's Rule of Five, 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- has 2 hydrogen bond donor(s) and 3 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 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-?
The CAS number of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- is 85475-54-3.
What is the molecular formula of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-?
The molecular formula of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- is C12H12ClN3O2.
What is the molecular weight of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-?
The molecular weight of 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- is 265.06 g/mol.
Where can I buy 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-?
You can request a quote for 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Isoquinolineethanimidamide, 4-chloro-N-hydroxy-alpha-methyl-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.