5-Butoxy-2-iodylbenzoic acid
TL;DR: 5-Butoxy-2-iodylbenzoic acid (CAS 112391-39-6) is a chemical compound with molecular formula C11H13IO5 and molecular weight 351.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butoxy-2-iodylbenzoic acid
Also Known As: 5-butoxy-2-iodoxybenzoic acid, 5-butoxy-2-iodylbenzoic acid, 5-butoxy-2-iodyl-benzoic Acid
| Molecular Formula | C11H13IO5 |
|---|---|
| Molecular Weight | 351.98 g/mol |
| LogP | 2.9307 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.98077 |
| Heavy Atoms | 17 |
| Complexity | 470.75018 |
Chemical Identifiers
| CAS Number | 112391-39-6 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)I(=O)=O)C(=O)O |
Product Overview
5-Butoxy-2-iodylbenzoic acid (CAS 112391-39-6), with molecular formula C11H13IO5 and molecular weight 351.98 g/mol. IUPAC: 5-butoxy-2-iodylbenzoic acid.
Chemical Property Profile of 5-Butoxy-2-iodylbenzoic acid
Property Insights of 5-Butoxy-2-iodylbenzoic acid
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butoxy-2-iodylbenzoic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butoxy-2-iodylbenzoic acid. Following Lipinski's Rule of Five, 5-Butoxy-2-iodylbenzoic 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
Frequently Asked Questions
What is the CAS number of 5-Butoxy-2-iodylbenzoic acid?
The CAS number of 5-Butoxy-2-iodylbenzoic acid is 112391-39-6.
What is the molecular formula of 5-Butoxy-2-iodylbenzoic acid?
The molecular formula of 5-Butoxy-2-iodylbenzoic acid is C11H13IO5.
What is the molecular weight of 5-Butoxy-2-iodylbenzoic acid?
The molecular weight of 5-Butoxy-2-iodylbenzoic acid is 351.98 g/mol.
Where can I buy 5-Butoxy-2-iodylbenzoic acid?
You can request a quote for 5-Butoxy-2-iodylbenzoic 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-iodylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Butoxy-2-iodylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.