Ethyl 4-(4-nitrophenyl)diazenylbenzoate
TL;DR: Ethyl 4-(4-nitrophenyl)diazenylbenzoate (CAS 5852-50-6) is a chemical compound with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-nitrophenyl)diazenyl]benzoate
Also Known As: Benzoic acid, ethyl ester, ethyl 4-[(4-nitrophenyl)diazenyl]benzoate, ETHYL 4-(4-NITROPHENYL)DIAZENYLBENZOATE, 4-<4-Nitro-phenylazo>-benzoesaeure-ethylester, J3.221.205K
| Molecular Formula | C15H13N3O4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0906 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 5852-50-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LGQVHGKBMHCJLL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(4-nitrophenyl)diazenylbenzoate (CAS 5852-50-6), with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol. IUPAC: ethyl 4-[(4-nitrophenyl)diazenyl]benzoate.
Chemical Property Profile of Ethyl 4-(4-nitrophenyl)diazenylbenzoate
Property Insights of Ethyl 4-(4-nitrophenyl)diazenylbenzoate
The XLogP value of 4.1 indicates that Ethyl 4-(4-nitrophenyl)diazenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-nitrophenyl)diazenylbenzoate. Following Lipinski's Rule of Five, Ethyl 4-(4-nitrophenyl)diazenylbenzoate 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 4-(4-nitrophenyl)diazenylbenzoate?
The CAS number of Ethyl 4-(4-nitrophenyl)diazenylbenzoate is 5852-50-6.
What is the molecular formula of Ethyl 4-(4-nitrophenyl)diazenylbenzoate?
The molecular formula of Ethyl 4-(4-nitrophenyl)diazenylbenzoate is C15H13N3O4.
What is the molecular weight of Ethyl 4-(4-nitrophenyl)diazenylbenzoate?
The molecular weight of Ethyl 4-(4-nitrophenyl)diazenylbenzoate is 299.09 g/mol.
Where can I buy Ethyl 4-(4-nitrophenyl)diazenylbenzoate?
You can request a quote for Ethyl 4-(4-nitrophenyl)diazenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-nitrophenyl)diazenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-nitrophenyl)diazenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.