Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate
TL;DR: Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate (CAS 33967-22-5) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoate
Also Known As: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoate, Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate, ethyl 2-(2-methyl(1,3-dioxolan-2-yl))-4-nitro-3-phenylbutanoate, Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenyl-butanoate, Ethyl 2-methyl-I+/--(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.9892 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 540.7612 |
Chemical Identifiers
| CAS Number | 33967-22-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C2(OCCO2)C |
Product Overview
Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate (CAS 33967-22-5), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoate.
Chemical Property Profile of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate
Property Insights of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate
The XLogP value of 1.9892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate. Following Lipinski's Rule of Five, Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate has 0 hydrogen bond donor(s) and 6 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 Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate?
The CAS number of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate is 33967-22-5.
What is the molecular formula of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate?
The molecular formula of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate is C16H21NO6.
What is the molecular weight of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate?
The molecular weight of Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate is 323.14 g/mol.
Where can I buy Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate?
You can request a quote for Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.