Methyl 2-(4-hydroxy-3-nitrophenyl)acetate
TL;DR: Methyl 2-(4-hydroxy-3-nitrophenyl)acetate (CAS 61873-93-6) 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.
methyl 2-(4-hydroxy-3-nitrophenyl)acetate
Also Known As: methyl 2-(4-hydroxy-3-nitrophenyl)acetate, Methyl (4-Hydroxy-3-nitrophenyl)acetate, methylhydroxynitrophenylacetate, 4-Hydroxy-3-nitro-phenylacetic acid methl ester, Methyl (4-Hydroxy-3-nitrophenyl)acetate
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.0159 |
| 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 | 61873-93-6 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C=C1)O)[N+](=O)[O-] |
Product Overview
Methyl 2-(4-hydroxy-3-nitrophenyl)acetate (CAS 61873-93-6), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: methyl 2-(4-hydroxy-3-nitrophenyl)acetate.
Chemical Property Profile of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate
Property Insights of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate
The XLogP value of 1.0159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-hydroxy-3-nitrophenyl)acetate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-hydroxy-3-nitrophenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-hydroxy-3-nitrophenyl)acetate 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 Methyl 2-(4-hydroxy-3-nitrophenyl)acetate?
The CAS number of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate is 61873-93-6.
What is the molecular formula of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate?
The molecular formula of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate is C9H9NO5.
What is the molecular weight of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate?
The molecular weight of Methyl 2-(4-hydroxy-3-nitrophenyl)acetate is 211.05 g/mol.
Where can I buy Methyl 2-(4-hydroxy-3-nitrophenyl)acetate?
You can request a quote for Methyl 2-(4-hydroxy-3-nitrophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-hydroxy-3-nitrophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-hydroxy-3-nitrophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.