2-(3-Methylpentoxycarbonyl)benzoic acid
TL;DR: 2-(3-Methylpentoxycarbonyl)benzoic acid (CAS 106636-65-1) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylpentoxycarbonyl)benzoic acid
Also Known As: 2-(3-methylpentoxycarbonyl)benzoic acid, Mono(3-methylpentyl) Phthalate, 1-oxa-4-azoniacyclohexane, 2-{[(3-methylpentyl)oxy]carbonyl}benzoic acid, 1,2-Benzenedicarboxylicacid, 1-(3-methylpentyl) ester
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | CCC(C)CCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | HFVPVWMVRZNFOP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Methylpentoxycarbonyl)benzoic acid
Property Insights of 2-(3-Methylpentoxycarbonyl)benzoic acid
The XLogP value of 3.4 indicates that 2-(3-Methylpentoxycarbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methylpentoxycarbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Methylpentoxycarbonyl)benzoic acid 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
What is the CAS number of 2-(3-Methylpentoxycarbonyl)benzoic acid?
The CAS number of 2-(3-Methylpentoxycarbonyl)benzoic acid is 106636-65-1.
What is the molecular formula of 2-(3-Methylpentoxycarbonyl)benzoic acid?
The molecular formula of 2-(3-Methylpentoxycarbonyl)benzoic acid is C14H18O4.
What is the molecular weight of 2-(3-Methylpentoxycarbonyl)benzoic acid?
The molecular weight of 2-(3-Methylpentoxycarbonyl)benzoic acid is 250.12051 g/mol.
Where can I buy 2-(3-Methylpentoxycarbonyl)benzoic acid?
You can request a quote for 2-(3-Methylpentoxycarbonyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Methylpentoxycarbonyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Methylpentoxycarbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.