2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane
TL;DR: 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane (CAS 58092-40-3) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-3-nitrobutyl)-1,3-dioxolane
Also Known As: 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane, 4',8-dimethylpsoralen, 2- -1,3-DIOXOLANE, 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane, 97%, 622-938-5
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 58092-40-3 |
|---|---|
| SMILES | CC(C)(CCC1OCCO1)[N+](=O)[O-] |
| InChIKey | ONLCLPRCWSOGPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane (CAS 58092-40-3), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: 2-(3-methyl-3-nitrobutyl)-1,3-dioxolane.
Chemical Property Profile of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane
Property Insights of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane. Following Lipinski's Rule of Five, 2-(3-Methyl-3-nitrobutyl)-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-(3-Methyl-3-nitrobutyl)-1,3-dioxolane?
The CAS number of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane is 58092-40-3.
What is the molecular formula of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane?
The molecular formula of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane is C8H15NO4.
What is the molecular weight of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane?
The molecular weight of 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane is 189.10 g/mol.
Where can I buy 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane?
You can request a quote for 2-(3-Methyl-3-nitrobutyl)-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-(3-Methyl-3-nitrobutyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.