Benzoic acid, 5-butoxy-2-iodosyl-
TL;DR: Benzoic acid, 5-butoxy-2-iodosyl- (CAS 112391-38-5) is a chemical compound with molecular formula C11H13IO4 and molecular weight 335.98587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butoxy-2-iodosylbenzoic acid
Also Known As: 5-butoxy-2-iodosylbenzoic acid, Benzoic acid, 5-butoxy-2-iodosyl-, 5-butoxy-2-iodosobenzoic acid, 5-butoxy-2-iodosyl-benzoic Acid
Technical Specifications
| Molecular Formula | C11H13IO4 |
| Molecular Weight | 335.98587 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.98587 Da |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
| SMILES | CCCCOC1=CC(=C(C=C1)I=O)C(=O)O |
| InChIKey | NCUGDIKDEVULMX-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 5-butoxy-2-iodosyl-
Property Insights of Benzoic acid, 5-butoxy-2-iodosyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-butoxy-2-iodosyl-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-butoxy-2-iodosyl-. Following Lipinski's Rule of Five, Benzoic acid, 5-butoxy-2-iodosyl- 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 Benzoic acid, 5-butoxy-2-iodosyl-?
The CAS number of Benzoic acid, 5-butoxy-2-iodosyl- is 112391-38-5.
What is the molecular formula of Benzoic acid, 5-butoxy-2-iodosyl-?
The molecular formula of Benzoic acid, 5-butoxy-2-iodosyl- is C11H13IO4.
What is the molecular weight of Benzoic acid, 5-butoxy-2-iodosyl-?
The molecular weight of Benzoic acid, 5-butoxy-2-iodosyl- is 335.98587 g/mol.
Where can I buy Benzoic acid, 5-butoxy-2-iodosyl-?
You can request a quote for Benzoic acid, 5-butoxy-2-iodosyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 5-butoxy-2-iodosyl-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 5-butoxy-2-iodosyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.