Benzoic acid, 2-iodosyl-5-(octyloxy)-
TL;DR: Benzoic acid, 2-iodosyl-5-(octyloxy)- (CAS 112391-40-9) is a chemical compound with molecular formula C15H21IO4 and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodosyl-5-octoxybenzoic acid
Also Known As: 2-iodosyl-5-octoxybenzoic acid, Benzoic acid, 2-iodosyl-5-(octyloxy)-, 5-octyloxy-2-iodosobenzoic acid, 2-iodosyl-5-octoxy-benzoic Acid, 2-iodosyl-5-(octyloxy)benzoic acid
| Molecular Formula | C15H21IO4 |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 4.6099 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.04846 |
| Heavy Atoms | 20 |
| Complexity | 445.4997 |
Chemical Identifiers
| CAS Number | 112391-40-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)I=O)C(=O)O |
Product Overview
Benzoic acid, 2-iodosyl-5-(octyloxy)- (CAS 112391-40-9), with molecular formula C15H21IO4 and molecular weight 392.05 g/mol. IUPAC: 2-iodosyl-5-octoxybenzoic acid.
Chemical Property Profile of Benzoic acid, 2-iodosyl-5-(octyloxy)-
Property Insights of Benzoic acid, 2-iodosyl-5-(octyloxy)-
The XLogP value of 4.6099 indicates that Benzoic acid, 2-iodosyl-5-(octyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-iodosyl-5-(octyloxy)-. Following Lipinski's Rule of Five, Benzoic acid, 2-iodosyl-5-(octyloxy)- 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-iodosyl-5-(octyloxy)-?
The CAS number of Benzoic acid, 2-iodosyl-5-(octyloxy)- is 112391-40-9.
What is the molecular formula of Benzoic acid, 2-iodosyl-5-(octyloxy)-?
The molecular formula of Benzoic acid, 2-iodosyl-5-(octyloxy)- is C15H21IO4.
What is the molecular weight of Benzoic acid, 2-iodosyl-5-(octyloxy)-?
The molecular weight of Benzoic acid, 2-iodosyl-5-(octyloxy)- is 392.05 g/mol.
Where can I buy Benzoic acid, 2-iodosyl-5-(octyloxy)-?
You can request a quote for Benzoic acid, 2-iodosyl-5-(octyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-iodosyl-5-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-iodosyl-5-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.