1-oxo-2H-isoquinoline-4-carboxylate
TL;DR: 1-oxo-2H-isoquinoline-4-carboxylate (CAS 34014-51-2) is a chemical compound with molecular formula C10H6NO3- and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-2H-isoquinoline-4-carboxylate
Also Known As: 1-oxo-1,2-dihydro-4-isoquinolinecarboxylicacid
| Molecular Formula | C10H6NO3- |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | -0.1084 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.03477 |
| Heavy Atoms | 14 |
| Complexity | 556.54083 |
Chemical Identifiers
| CAS Number | 34014-51-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CNC2=O)C(=O)[O-] |
Product Overview
1-oxo-2H-isoquinoline-4-carboxylate (CAS 34014-51-2), with molecular formula C10H6NO3- and molecular weight 188.03 g/mol. IUPAC: 1-oxo-2H-isoquinoline-4-carboxylate.
Chemical Property Profile of 1-oxo-2H-isoquinoline-4-carboxylate
Property Insights of 1-oxo-2H-isoquinoline-4-carboxylate
The XLogP value of -0.1084 indicates that 1-oxo-2H-isoquinoline-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2H-isoquinoline-4-carboxylate. Following Lipinski's Rule of Five, 1-oxo-2H-isoquinoline-4-carboxylate has 1 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 1-oxo-2H-isoquinoline-4-carboxylate?
The CAS number of 1-oxo-2H-isoquinoline-4-carboxylate is 34014-51-2.
What is the molecular formula of 1-oxo-2H-isoquinoline-4-carboxylate?
The molecular formula of 1-oxo-2H-isoquinoline-4-carboxylate is C10H6NO3-.
What is the molecular weight of 1-oxo-2H-isoquinoline-4-carboxylate?
The molecular weight of 1-oxo-2H-isoquinoline-4-carboxylate is 188.03 g/mol.
Where can I buy 1-oxo-2H-isoquinoline-4-carboxylate?
You can request a quote for 1-oxo-2H-isoquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-2H-isoquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-2H-isoquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.