7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid
TL;DR: 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid (CAS 412336-00-6) is a chemical compound with molecular formula C12H10O5S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-1-oxoisothiochromene-3-carboxylic acid
Also Known As: 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid, 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylic acid, 7,8-dimethoxy-1-oxobenzo[c]thiin-3-carboxylic acid, L-2869, AB01330341-02
| Molecular Formula | C12H10O5S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 1.9769 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0249 |
| Heavy Atoms | 18 |
| Complexity | 673.95746 |
Chemical Identifiers
| CAS Number | 412336-00-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)O)OC |
Product Overview
7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid (CAS 412336-00-6), with molecular formula C12H10O5S and molecular weight 266.02 g/mol. IUPAC: 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylic acid.
Chemical Property Profile of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid
Property Insights of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid
The XLogP value of 1.9769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid. Following Lipinski's Rule of Five, 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid?
The CAS number of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid is 412336-00-6.
What is the molecular formula of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid?
The molecular formula of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid is C12H10O5S.
What is the molecular weight of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid?
The molecular weight of 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid is 266.02 g/mol.
Where can I buy 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid?
You can request a quote for 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.