2-Methyl-2-(3-nitropropyl)-1,3-dioxolane
TL;DR: 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane (CAS 19639-74-8) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(3-nitropropyl)-1,3-dioxolane
Also Known As: 2-methyl-2-(3-nitropropyl)-1,3-dioxolane, 5-nitro-2,2-ethylenedioxypentane, 5-nitropentan-2-one ethylene ketal, 1,3-dioxolane, 2-methyl-2-(3-nitropropyl)-, 2-(3-Nitropropyl)-2-methyl-1,3-dioxolane
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 19639-74-8 |
|---|---|
| SMILES | CC1(OCCO1)CCC[N+](=O)[O-] |
| InChIKey | FTOVOZNFEBTZNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-(3-nitropropyl)-1,3-dioxolane (CAS 19639-74-8), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: 2-methyl-2-(3-nitropropyl)-1,3-dioxolane.
Chemical Property Profile of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane
Property Insights of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane. Following Lipinski's Rule of Five, 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane has 0 hydrogen bond donor(s) and 4 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-Methyl-2-(3-nitropropyl)-1,3-dioxolane?
The CAS number of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane is 19639-74-8.
What is the molecular formula of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane?
The molecular formula of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane is C7H13NO4.
What is the molecular weight of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane?
The molecular weight of 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane is 175.08 g/mol.
Where can I buy 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane?
You can request a quote for 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(3-nitropropyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.