7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-
TL;DR: 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- (CAS 64398-43-2) is a chemical compound with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
Also Known As: Dihydroisocoumarin acid, 5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid, 7-ISOCHROMANCARBOXYLIC ACID, 5-CHLORO-3-METHYL-1-OXO-, 5-chloro-3-methyl-1-oxo-7-isochromancarboxylic acid, 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-3-methyl-1-oxo-
| Molecular Formula | C11H9ClO4 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.01894 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 64398-43-2 |
|---|---|
| SMILES | CC1CC2=C(C=C(C=C2Cl)C(=O)O)C(=O)O1 |
| InChIKey | CCFFMHQLCHYZLV-UHFFFAOYSA-N |
Product Overview
7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- (CAS 64398-43-2), with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol. IUPAC: 5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid.
Chemical Property Profile of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-
Property Insights of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-. Following Lipinski's Rule of Five, 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- has 1 hydrogen bond donor(s) and 4 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-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-?
The CAS number of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- is 64398-43-2.
What is the molecular formula of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-?
The molecular formula of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- is C11H9ClO4.
What is the molecular weight of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-?
The molecular weight of 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- is 240.02 g/mol.
Where can I buy 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-?
You can request a quote for 7-Isochromancarboxylic acid, 5-chloro-3-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 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 7-Isochromancarboxylic acid, 5-chloro-3-methyl-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.