1-Oxo-1H-isochromene-4-carboxylic acid
TL;DR: 1-Oxo-1H-isochromene-4-carboxylic acid (CAS 15868-29-8) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxoisochromene-4-carboxylic acid
Also Known As: 1-Oxo-1H-isochromene-4-carboxylic acid, 1-oxoisochromene-4-carboxylic Acid, isocoumarin-4-carboxylic acid, 1-Oxo-1H-2-benzopyran-4-carboxylic acid, 1-Oxo-1H-2-benzopyran-4-carbonsaeure
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.4912 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 553.2957 |
Chemical Identifiers
| CAS Number | 15868-29-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=COC2=O)C(=O)O |
Product Overview
1-Oxo-1H-isochromene-4-carboxylic acid (CAS 15868-29-8), with molecular formula C10H6O4 and molecular weight 190.03 g/mol. IUPAC: 1-oxoisochromene-4-carboxylic acid.
Chemical Property Profile of 1-Oxo-1H-isochromene-4-carboxylic acid
Property Insights of 1-Oxo-1H-isochromene-4-carboxylic acid
The XLogP value of 1.4912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1H-isochromene-4-carboxylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1H-isochromene-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxo-1H-isochromene-4-carboxylic acid 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-1H-isochromene-4-carboxylic acid?
The CAS number of 1-Oxo-1H-isochromene-4-carboxylic acid is 15868-29-8.
What is the molecular formula of 1-Oxo-1H-isochromene-4-carboxylic acid?
The molecular formula of 1-Oxo-1H-isochromene-4-carboxylic acid is C10H6O4.
What is the molecular weight of 1-Oxo-1H-isochromene-4-carboxylic acid?
The molecular weight of 1-Oxo-1H-isochromene-4-carboxylic acid is 190.03 g/mol.
Where can I buy 1-Oxo-1H-isochromene-4-carboxylic acid?
You can request a quote for 1-Oxo-1H-isochromene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1H-isochromene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1H-isochromene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.