Ethyl 4-nitro-5-phenylpent-4-enoate
TL;DR: Ethyl 4-nitro-5-phenylpent-4-enoate (CAS 52175-26-5) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-nitro-5-phenylpent-4-enoate
Also Known As: ethyl 4-nitro-5-phenylpent-4-enoate, ethyl (Z)-4-nitro-5-phenylpent-4-enoate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 52175-26-5 |
|---|---|
| SMILES | CCOC(=O)CCC(=CC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | STGXHVBKOHDVJM-UHFFFAOYSA-N |
Product Overview
Ethyl 4-nitro-5-phenylpent-4-enoate (CAS 52175-26-5), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: ethyl 4-nitro-5-phenylpent-4-enoate.
Chemical Property Profile of Ethyl 4-nitro-5-phenylpent-4-enoate
Property Insights of Ethyl 4-nitro-5-phenylpent-4-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitro-5-phenylpent-4-enoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitro-5-phenylpent-4-enoate. Following Lipinski's Rule of Five, Ethyl 4-nitro-5-phenylpent-4-enoate 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 4-nitro-5-phenylpent-4-enoate?
The CAS number of Ethyl 4-nitro-5-phenylpent-4-enoate is 52175-26-5.
What is the molecular formula of Ethyl 4-nitro-5-phenylpent-4-enoate?
The molecular formula of Ethyl 4-nitro-5-phenylpent-4-enoate is C13H15NO4.
What is the molecular weight of Ethyl 4-nitro-5-phenylpent-4-enoate?
The molecular weight of Ethyl 4-nitro-5-phenylpent-4-enoate is 249.10 g/mol.
Where can I buy Ethyl 4-nitro-5-phenylpent-4-enoate?
You can request a quote for Ethyl 4-nitro-5-phenylpent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitro-5-phenylpent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitro-5-phenylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.