2-Acetoxy-2-nitrosopropane
TL;DR: 2-Acetoxy-2-nitrosopropane (CAS 6931-04-0) is a chemical compound with molecular formula C5H9NO3 and molecular weight 131.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrosopropan-2-yl acetate
Also Known As: 2-nitrosopropan-2-yl acetate, 2-acetoxy-2-nitrosopropane, 1-Methyl-1-nitrosoethyl acetate, 2-Propanol,2-nitroso-,acetate, 1-Methyl-1-nitrosoethyl acetate #
| Molecular Formula | C5H9NO3 |
|---|---|
| Molecular Weight | 131.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.05824 |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6931-04-0 |
|---|---|
| SMILES | CC(=O)OC(C)(C)N=O |
| InChIKey | ZMCKRMKVKPPLDE-UHFFFAOYSA-N |
Product Overview
2-Acetoxy-2-nitrosopropane (CAS 6931-04-0), with molecular formula C5H9NO3 and molecular weight 131.06 g/mol. IUPAC: 2-nitrosopropan-2-yl acetate.
Chemical Property Profile of 2-Acetoxy-2-nitrosopropane
Property Insights of 2-Acetoxy-2-nitrosopropane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetoxy-2-nitrosopropane. With a topological polar surface area (TPSA) of 55.7 Ų, 2-Acetoxy-2-nitrosopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetoxy-2-nitrosopropane 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-Acetoxy-2-nitrosopropane?
The CAS number of 2-Acetoxy-2-nitrosopropane is 6931-04-0.
What is the molecular formula of 2-Acetoxy-2-nitrosopropane?
The molecular formula of 2-Acetoxy-2-nitrosopropane is C5H9NO3.
What is the molecular weight of 2-Acetoxy-2-nitrosopropane?
The molecular weight of 2-Acetoxy-2-nitrosopropane is 131.06 g/mol.
Where can I buy 2-Acetoxy-2-nitrosopropane?
You can request a quote for 2-Acetoxy-2-nitrosopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxy-2-nitrosopropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxy-2-nitrosopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.