1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
TL;DR: 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CAS 63979-17-9) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
Also Known As: USAF ND-55, 4-Methyl-1-tetralone-3-carboxylic acid, 1(2H)-Naphthalenone, 3-carboxy-3,4-dihydro-4-methyl-, 2-NAPHTHOIC ACID, 1-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-, 3-Naphthoic acid, 1,2,3,4-tetrahydro-4-methyl-1-oxo-
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | CC1C(CC(=O)C2=CC=CC=C12)C(=O)O |
| InChIKey | WRZNZBDUIVUZNV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Property Insights of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-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
What is the CAS number of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The CAS number of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is 63979-17-9.
What is the molecular formula of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The molecular formula of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is C12H12O3.
What is the molecular weight of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The molecular weight of 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is 204.07864 g/mol.
Where can I buy 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
You can request a quote for 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.