Acetic acid, (5-butoxy-m-tolyl)-
TL;DR: Acetic acid, (5-butoxy-m-tolyl)- (CAS 51028-85-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-butoxy-5-methylphenyl)acetic acid
Also Known As: aceticacid, 5-Butoxy-m-tolylacetic acid, 2-(3-butoxy-5-methylphenyl)acetic acid, ACETIC ACID, (5-BUTOXY-m-TOLYL)-, (5-Butoxy-3-methylphenyl)acetic acid
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | CCCCOC1=CC(=CC(=C1)CC(=O)O)C |
| InChIKey | PGXJZASUGQVGNJ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, (5-butoxy-m-tolyl)-
Property Insights of Acetic acid, (5-butoxy-m-tolyl)-
The XLogP value of 3.0 indicates that Acetic acid, (5-butoxy-m-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Acetic acid, (5-butoxy-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (5-butoxy-m-tolyl)- 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 Acetic acid, (5-butoxy-m-tolyl)-?
The CAS number of Acetic acid, (5-butoxy-m-tolyl)- is 51028-85-4.
What is the molecular formula of Acetic acid, (5-butoxy-m-tolyl)-?
The molecular formula of Acetic acid, (5-butoxy-m-tolyl)- is C13H18O3.
What is the molecular weight of Acetic acid, (5-butoxy-m-tolyl)-?
The molecular weight of Acetic acid, (5-butoxy-m-tolyl)- is 222.1256 g/mol.
Where can I buy Acetic acid, (5-butoxy-m-tolyl)-?
You can request a quote for Acetic acid, (5-butoxy-m-tolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (5-butoxy-m-tolyl)-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (5-butoxy-m-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.