2-(iodomethyl)-p-dioxane
TL;DR: 2-(iodomethyl)-p-dioxane (CAS 64179-32-4) is a chemical compound with molecular formula C16H11NO6 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid
Also Known As: 2-(iodomethyl)-p-dioxane, 6-((1,3-Dihydro-3-oxo-1-isobenzofuranyl)amino)-1,3-benzodioxole-5-carboxylic acid, 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid, 6-((3-Oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzo[d][1,3]dioxole-5-carboxylic acid
| Molecular Formula | C16H11NO6 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.3946 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05862 |
| Heavy Atoms | 23 |
| Complexity | 831.3153 |
Chemical Identifiers
| CAS Number | 64179-32-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C(=O)O)NC3C4=CC=CC=C4C(=O)O3 |
Product Overview
2-(iodomethyl)-p-dioxane (CAS 64179-32-4), with molecular formula C16H11NO6 and molecular weight 313.06 g/mol. IUPAC: 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of 2-(iodomethyl)-p-dioxane
Property Insights of 2-(iodomethyl)-p-dioxane
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(iodomethyl)-p-dioxane. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(iodomethyl)-p-dioxane. Following Lipinski's Rule of Five, 2-(iodomethyl)-p-dioxane has 2 hydrogen bond donor(s) and 6 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 2-(iodomethyl)-p-dioxane?
The CAS number of 2-(iodomethyl)-p-dioxane is 64179-32-4.
What is the molecular formula of 2-(iodomethyl)-p-dioxane?
The molecular formula of 2-(iodomethyl)-p-dioxane is C16H11NO6.
What is the molecular weight of 2-(iodomethyl)-p-dioxane?
The molecular weight of 2-(iodomethyl)-p-dioxane is 313.06 g/mol.
Where can I buy 2-(iodomethyl)-p-dioxane?
You can request a quote for 2-(iodomethyl)-p-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(iodomethyl)-p-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(iodomethyl)-p-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.