1,1-Dimethoxy-3-nitropropane
TL;DR: 1,1-Dimethoxy-3-nitropropane (CAS 72447-81-5) is a chemical compound with molecular formula C5H11NO4 and molecular weight 149.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-3-nitropropane
Also Known As: 1,1-dimethoxy-3-nitropropane, LISSAMINEGREENB, 3-nitropropanal dimethyl acetal, Propane, 1,1-dimethoxy-3-nitro-, 11-dimethoxy-3-nitropropane
| Molecular Formula | C5H11NO4 |
|---|---|
| Molecular Weight | 149.07 g/mol |
| LogP | 0.2721 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 149.0688 |
| Heavy Atoms | 10 |
| Complexity | 101.821075 |
Chemical Identifiers
| CAS Number | 72447-81-5 |
|---|---|
| SMILES | COC(CC[N+](=O)[O-])OC |
Product Overview
1,1-Dimethoxy-3-nitropropane (CAS 72447-81-5), with molecular formula C5H11NO4 and molecular weight 149.07 g/mol. IUPAC: 1,1-dimethoxy-3-nitropropane.
Chemical Property Profile of 1,1-Dimethoxy-3-nitropropane
Property Insights of 1,1-Dimethoxy-3-nitropropane
The XLogP value of 0.2721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethoxy-3-nitropropane. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethoxy-3-nitropropane. Following Lipinski's Rule of Five, 1,1-Dimethoxy-3-nitropropane 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 1,1-Dimethoxy-3-nitropropane?
The CAS number of 1,1-Dimethoxy-3-nitropropane is 72447-81-5.
What is the molecular formula of 1,1-Dimethoxy-3-nitropropane?
The molecular formula of 1,1-Dimethoxy-3-nitropropane is C5H11NO4.
What is the molecular weight of 1,1-Dimethoxy-3-nitropropane?
The molecular weight of 1,1-Dimethoxy-3-nitropropane is 149.07 g/mol.
Where can I buy 1,1-Dimethoxy-3-nitropropane?
You can request a quote for 1,1-Dimethoxy-3-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethoxy-3-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethoxy-3-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.