(2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol
TL;DR: (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol (CAS 4728-14-7) is a chemical compound with molecular formula C7H13NO5 and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol
Also Known As: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol, 2,2-DIMETHYL-5-NITRO-1,3-DIOXANE-5-METHANOL, 2,2-Dimethyl-5-hydroxymethyl-5-nitro-1,3-dioxane, J2.001.996D, 5-Nitro-2,2-dimethyl-1,3-dioxane-5-methanol
| Molecular Formula | C7H13NO5 |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.07938 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 4728-14-7 |
|---|---|
| SMILES | CC1(OCC(CO1)(CO)[N+](=O)[O-])C |
| InChIKey | QELOUXQKMTYFPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol (CAS 4728-14-7), with molecular formula C7H13NO5 and molecular weight 191.08 g/mol. IUPAC: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol.
Chemical Property Profile of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol
Property Insights of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol
The XLogP value of -0.6 indicates that (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol. Following Lipinski's Rule of Five, (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol has 1 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-1,3-dioxan-5-yl)methanol?
The CAS number of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is 4728-14-7.
What is the molecular formula of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol?
The molecular formula of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is C7H13NO5.
What is the molecular weight of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol?
The molecular weight of (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is 191.08 g/mol.
Where can I buy (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol?
You can request a quote for (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol 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-1,3-dioxan-5-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.