3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
TL;DR: 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (CAS 633282-39-0) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-4H-isochromene-3-carboxylic acid
Also Known As: 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid, 3-Methyl-1-oxoisochroman-3-carboxylic acid, 3-methyl-1-oxo-4H-isochromene-3-carboxylic acid, 3-Methyl-1-oxoisochroman-3-carboxylicacid, 3-methyl-1-oxoisochromane-3-carboxylic acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.2428 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 437.969 |
Chemical Identifiers
| CAS Number | 633282-39-0 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)O |
Product Overview
3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (CAS 633282-39-0), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 3-methyl-1-oxo-4H-isochromene-3-carboxylic acid.
Chemical Property Profile of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
Property Insights of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
The XLogP value of 1.2428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid. Following Lipinski's Rule of Five, 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-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 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid?
The CAS number of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid is 633282-39-0.
What is the molecular formula of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid?
The molecular formula of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid is C11H10O4.
What is the molecular weight of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid?
The molecular weight of 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid is 206.06 g/mol.
Where can I buy 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid?
You can request a quote for 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-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 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.