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 319.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butoxy-2-iodobenzoic acid
Also Known As: 5-butoxy-2-iodobenzoic acid, 5-butoxy-2-iodo-benzoic Acid
| Molecular Formula | C11H13IO3 |
|---|---|
| Molecular Weight | 319.99 g/mol |
| LogP | 3.1683 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.99094 |
| Heavy Atoms | 15 |
| Complexity | 349.6863 |
Chemical Identifiers
| CAS Number | 114185-61-4 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)I)C(=O)O |
Product Overview
5-Butoxy-2-iodobenzoic acid (CAS 114185-61-4), with molecular formula C11H13IO3 and molecular weight 319.99 g/mol. IUPAC: 5-butoxy-2-iodobenzoic acid.
Chemical Property Profile of 5-Butoxy-2-iodobenzoic acid
Property Insights of 5-Butoxy-2-iodobenzoic acid
The XLogP value of 3.1683 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 46.53 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 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 319.99 g/mol.
Where can I buy 5-Butoxy-2-iodobenzoic acid?
You can request a quote for 5-Butoxy-2-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butoxy-2-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Butoxy-2-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.