Ethyl 4-hydroxy-2-nitrobenzoate
TL;DR: Ethyl 4-hydroxy-2-nitrobenzoate (CAS 104357-95-1) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-2-nitrobenzoate
Also Known As: ethyl 4-hydroxy-2-nitrobenzoate, 4-Hydroxy-2-nitro-benzoic acid ethyl ester, ethyl 4-hydroxy-2-nitro-benzoate, ethyl4-hydroxy-2-nitrobenzoate, Benzoic acid, 4-hydroxy-2-nitro-, ethyl ester
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.4771 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 401.48923 |
Chemical Identifiers
| CAS Number | 104357-95-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)O)[N+](=O)[O-] |
Product Overview
Ethyl 4-hydroxy-2-nitrobenzoate (CAS 104357-95-1), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: ethyl 4-hydroxy-2-nitrobenzoate.
Chemical Property Profile of Ethyl 4-hydroxy-2-nitrobenzoate
Property Insights of Ethyl 4-hydroxy-2-nitrobenzoate
The XLogP value of 1.4771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-nitrobenzoate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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-hydroxy-2-nitrobenzoate?
The CAS number of Ethyl 4-hydroxy-2-nitrobenzoate is 104357-95-1.
What is the molecular formula of Ethyl 4-hydroxy-2-nitrobenzoate?
The molecular formula of Ethyl 4-hydroxy-2-nitrobenzoate is C9H9NO5.
What is the molecular weight of Ethyl 4-hydroxy-2-nitrobenzoate?
The molecular weight of Ethyl 4-hydroxy-2-nitrobenzoate is 211.05 g/mol.
Where can I buy Ethyl 4-hydroxy-2-nitrobenzoate?
You can request a quote for Ethyl 4-hydroxy-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.