5-Butoxy-2-iodobenzoic acid
TL;DR: 5-Butoxy-2-iodobenzoic acid (CAS 114185-61-4) is a chemical compound with molecular formula C11H13IO3 and molecular weight 319.99094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butoxy-2-iodobenzoic acid
Also Known As: 5-butoxy-2-iodobenzoic acid, 5-butoxy-2-iodo-benzoic Acid
Technical Specifications
| Molecular Formula | C11H13IO3 |
| Molecular Weight | 319.99094 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.99094 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| SMILES | CCCCOC1=CC(=C(C=C1)I)C(=O)O |
| InChIKey | KORDHKJUESKJLR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butoxy-2-iodobenzoic acid
Property Insights of 5-Butoxy-2-iodobenzoic acid
The XLogP value of 3.3 indicates that 5-Butoxy-2-iodobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Butoxy-2-iodobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butoxy-2-iodobenzoic 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 5-Butoxy-2-iodobenzoic acid?
The CAS number of 5-Butoxy-2-iodobenzoic acid is 114185-61-4.
What is the molecular formula of 5-Butoxy-2-iodobenzoic acid?
The molecular formula of 5-Butoxy-2-iodobenzoic acid is C11H13IO3.
What is the molecular weight of 5-Butoxy-2-iodobenzoic acid?
The molecular weight of 5-Butoxy-2-iodobenzoic acid is 319.99094 g/mol.
Where can I buy 5-Butoxy-2-iodobenzoic acid?
You can request a quote for 5-Butoxy-2-iodobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butoxy-2-iodobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Butoxy-2-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.