5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
TL;DR: 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole (CAS 61683-98-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole
Also Known As: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole, 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 61683-98-5 |
|---|---|
| SMILES | CC1CC(OC(O1)C2=CC3=C(C=C2)OCO3)C |
| InChIKey | DBINJPHSZDRBGU-UHFFFAOYSA-N |
Product Overview
5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole (CAS 61683-98-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
Property Insights of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole. With a topological polar surface area (TPSA) of 36.9 Ų, 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole has 0 hydrogen bond donor(s) and 4 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-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The CAS number of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is 61683-98-5.
What is the molecular formula of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The molecular formula of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is C13H16O4.
What is the molecular weight of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The molecular weight of 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is 236.10 g/mol.
Where can I buy 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
You can request a quote for 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,6-Dimethyl-1,3-dioxan-2-yl)-2H-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.