1,3-Dioxane, 2-(4-chlorophenyl)-
TL;DR: 1,3-Dioxane, 2-(4-chlorophenyl)- (CAS 6413-52-1) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-1,3-dioxane
Also Known As: 2-(4-chlorophenyl)-1,3-dioxane, 2-p-Chlorophenyl-1,3-dioxane, 1,3-Dioxane, 2-(4-chlorophenyl)-, 1, 2-(4-chlorophenyl)-, m-Dioxane, 2-(p-chlorophenyl)-
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6413-52-1 |
|---|---|
| SMILES | C1COC(OC1)C2=CC=C(C=C2)Cl |
| InChIKey | LMVCINGLGLOSPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 2-(4-chlorophenyl)- (CAS 6413-52-1), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-(4-chlorophenyl)-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-(4-chlorophenyl)-
Property Insights of 1,3-Dioxane, 2-(4-chlorophenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 2-(4-chlorophenyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 2-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-(4-chlorophenyl)- 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, 2-(4-chlorophenyl)-?
The CAS number of 1,3-Dioxane, 2-(4-chlorophenyl)- is 6413-52-1.
What is the molecular formula of 1,3-Dioxane, 2-(4-chlorophenyl)-?
The molecular formula of 1,3-Dioxane, 2-(4-chlorophenyl)- is C10H11ClO2.
What is the molecular weight of 1,3-Dioxane, 2-(4-chlorophenyl)-?
The molecular weight of 1,3-Dioxane, 2-(4-chlorophenyl)- is 198.04 g/mol.
Where can I buy 1,3-Dioxane, 2-(4-chlorophenyl)-?
You can request a quote for 1,3-Dioxane, 2-(4-chlorophenyl)- 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, 2-(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.