5-Chloro-2-methyl-1,3-dioxane
TL;DR: 5-Chloro-2-methyl-1,3-dioxane (CAS 15579-94-9) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-1,3-dioxane
Also Known As: 5-Chloro-2-methyl-1,3-dioxane, 5beta-Chloro-2alpha-methyl-1,3-dioxane, m-Dioxane, 5-chloro-2-methyl-, trans-, 5-Chloro-2-methyl-1,3-dioxane #, 1,3-Dioxane, 5-chloro-2-methyl-, trans-
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 15579-94-9 |
|---|---|
| SMILES | CC1OCC(CO1)Cl |
| InChIKey | GTCHJWXOUCJFBZ-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-methyl-1,3-dioxane (CAS 15579-94-9), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 5-chloro-2-methyl-1,3-dioxane.
Chemical Property Profile of 5-Chloro-2-methyl-1,3-dioxane
Property Insights of 5-Chloro-2-methyl-1,3-dioxane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 5-Chloro-2-methyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methyl-1,3-dioxane 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 5-Chloro-2-methyl-1,3-dioxane?
The CAS number of 5-Chloro-2-methyl-1,3-dioxane is 15579-94-9.
What is the molecular formula of 5-Chloro-2-methyl-1,3-dioxane?
The molecular formula of 5-Chloro-2-methyl-1,3-dioxane is C5H9ClO2.
What is the molecular weight of 5-Chloro-2-methyl-1,3-dioxane?
The molecular weight of 5-Chloro-2-methyl-1,3-dioxane is 136.03 g/mol.
Where can I buy 5-Chloro-2-methyl-1,3-dioxane?
You can request a quote for 5-Chloro-2-methyl-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.