Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-
TL;DR: Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- (CAS 63257-54-5) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-carboxy-4-methylpentoxy)-4-methylbenzoic acid
Also Known As: Gemfibrozil M3, GEMFIBROZIL METABOLITE M3, 3-[(4-carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid, 3-((4-Carboxy-4-methylpentyl)oxy)-4-methylbenzoic acid, Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-
Technical Specifications
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.13107 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.13107 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)OCCCC(C)(C)C(=O)O |
| InChIKey | MOMCEAQWBWEIJV-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-
Property Insights of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-. Following Lipinski's Rule of Five, Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-?
The CAS number of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- is 63257-54-5.
What is the molecular formula of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-?
The molecular formula of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- is C15H20O5.
What is the molecular weight of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-?
The molecular weight of Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- is 280.13107 g/mol.
Where can I buy Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-?
You can request a quote for Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-((4-carboxy-4-methylpentyl)oxy)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.