![5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one structure](/static/products/3848/384855-98-5.webp)
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
TL;DR: 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one (CAS 384855-98-5) is a chemical compound with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indole]-2'-one
Also Known As: ChemDiv1_018088, 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one, A2486/0105652, 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indole]-2'-one, 5'-(Hydroxymethyl)-1-methyl-5'-nitrospiro[indoline-3,2'-[1,3]dioxan]-2-one
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 384855-98-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3(C1=O)OCC(CO3)(CO)[N+](=O)[O-] |
| InChIKey | FTDHIAMPZIODPX-UHFFFAOYSA-N |
Product Overview
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one (CAS 384855-98-5), with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol. IUPAC: 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indole]-2'-one.
Chemical Property Profile of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Property Insights of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
The XLogP value of -0.5 indicates that 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one. Following Lipinski's Rule of Five, 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one has 1 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-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one?
The CAS number of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one is 384855-98-5.
What is the molecular formula of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one?
The molecular formula of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one is C13H14N2O6.
What is the molecular weight of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one?
The molecular weight of 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one is 294.09 g/mol.
Where can I buy 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one?
You can request a quote for 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.