1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-
TL;DR: 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- (CAS 61729-05-3) is a chemical compound with molecular formula C6H10ClIO2 and molecular weight 275.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-5-(iodomethyl)-1,3-dioxane
Also Known As: Bamipine dihydrochloride, 5-(chloromethyl)-5-(iodomethyl)-1,3-dioxane, 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-, 5-CHLOROMETHYL-5-IODOMETHYL-1,3-DIOXANE, 1,3-Dioxane,5-(chloromethyl)-5-(iodomethyl)-
| Molecular Formula | C6H10ClIO2 |
|---|---|
| Molecular Weight | 275.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.9414 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 61729-05-3 |
|---|---|
| SMILES | C1C(COCO1)(CCl)CI |
| InChIKey | QJVXMTQDMTVBCF-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- (CAS 61729-05-3), with molecular formula C6H10ClIO2 and molecular weight 275.94 g/mol. IUPAC: 5-(chloromethyl)-5-(iodomethyl)-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-
Property Insights of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- has 0 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 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-?
The CAS number of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- is 61729-05-3.
What is the molecular formula of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-?
The molecular formula of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- is C6H10ClIO2.
What is the molecular weight of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-?
The molecular weight of 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- is 275.94 g/mol.
Where can I buy 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-?
You can request a quote for 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5-(chloromethyl)-5-(iodomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.