2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
TL;DR: 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane (CAS 97584-20-8) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane
Also Known As: 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane, 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane, 1,3-Dioxane, 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-, Salicylic acid, methyl ester, ester with O-ethyl phosphoramidothioate
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 97584-20-8 |
|---|---|
| SMILES | CC1(OCC(CO1)(COC2=CC=CC=C2)[N+](=O)[O-])C |
| InChIKey | FBCAKEFRDYZHNJ-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane (CAS 97584-20-8), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane.
Chemical Property Profile of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
Property Insights of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-nitro-5-phenoxymethyl-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 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane?
The CAS number of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane is 97584-20-8.
What is the molecular formula of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane?
The molecular formula of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane is C13H17NO5.
What is the molecular weight of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane?
The molecular weight of 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane is 267.11 g/mol.
Where can I buy 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane?
You can request a quote for 2,2-Dimethyl-5-nitro-5-phenoxymethyl-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 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-nitro-5-phenoxymethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.