5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
TL;DR: 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole (CAS 7461-06-5) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
Also Known As: 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole, 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 7461-06-5 |
|---|---|
| SMILES | CCC1(COC(OC1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-] |
| InChIKey | UTSDWRPJAFDRTA-UHFFFAOYSA-N |
Product Overview
5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole (CAS 7461-06-5), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
Property Insights of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole has 0 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 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The CAS number of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is 7461-06-5.
What is the molecular formula of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The molecular formula of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is C13H15NO6.
What is the molecular weight of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
The molecular weight of 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole is 281.09 g/mol.
Where can I buy 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
You can request a quote for 5-(5-Ethyl-5-nitro-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-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Ethyl-5-nitro-1,3-dioxan-2-yl)-2H-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.