2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane
TL;DR: 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane (CAS 67154-33-0) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-yl)-5-methyl-5-nitro-1,3-dioxane
Also Known As: NCIOpen2_003768, 2-(furan-2-yl)-5-methyl-5-nitro-1,3-dioxane, 1,3-Dioxane,2-(2-furanyl)-5-methyl-5-nitro-
| Molecular Formula | C9H11NO5 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.06372 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 67154-33-0 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=CO2)[N+](=O)[O-] |
| InChIKey | BWNPBULTUPLTGV-UHFFFAOYSA-N |
Product Overview
2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane (CAS 67154-33-0), with molecular formula C9H11NO5 and molecular weight 213.06 g/mol. IUPAC: 2-(furan-2-yl)-5-methyl-5-nitro-1,3-dioxane.
Chemical Property Profile of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane
Property Insights of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane has 0 hydrogen bond donor(s) and 5 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 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane?
The CAS number of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane is 67154-33-0.
What is the molecular formula of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane?
The molecular formula of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane is C9H11NO5.
What is the molecular weight of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane?
The molecular weight of 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane is 213.06 g/mol.
Where can I buy 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane?
You can request a quote for 2-(Furan-2-yl)-5-methyl-5-nitro-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 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Furan-2-yl)-5-methyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.