Ethyl 3-nitro-2-phenylpropanoate
TL;DR: Ethyl 3-nitro-2-phenylpropanoate (CAS 199107-84-1) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-nitro-2-phenylpropanoate
Also Known As: ethyl 3-nitro-2-phenylpropanoate, Ethyl 3-nitro-2-phenyl-propanoate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.61 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 363.50714 |
Chemical Identifiers
| CAS Number | 199107-84-1 |
|---|---|
| SMILES | CCOC(=O)C(C[N+](=O)[O-])C1=CC=CC=C1 |
Product Overview
Ethyl 3-nitro-2-phenylpropanoate (CAS 199107-84-1), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: ethyl 3-nitro-2-phenylpropanoate.
Chemical Property Profile of Ethyl 3-nitro-2-phenylpropanoate
Property Insights of Ethyl 3-nitro-2-phenylpropanoate
The XLogP value of 1.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-nitro-2-phenylpropanoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-nitro-2-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 3-nitro-2-phenylpropanoate 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 Ethyl 3-nitro-2-phenylpropanoate?
The CAS number of Ethyl 3-nitro-2-phenylpropanoate is 199107-84-1.
What is the molecular formula of Ethyl 3-nitro-2-phenylpropanoate?
The molecular formula of Ethyl 3-nitro-2-phenylpropanoate is C11H13NO4.
What is the molecular weight of Ethyl 3-nitro-2-phenylpropanoate?
The molecular weight of Ethyl 3-nitro-2-phenylpropanoate is 223.08 g/mol.
Where can I buy Ethyl 3-nitro-2-phenylpropanoate?
You can request a quote for Ethyl 3-nitro-2-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-nitro-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-nitro-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.